Information on EC 3.4.21.98 - hepacivirin

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The expected taxonomic range for this enzyme is: Flaviviridae

EC NUMBER
COMMENTARY
3.4.21.98
-
RECOMMENDED NAME
GeneOntology No.
hepacivirin
-
REACTION
REACTION DIAGRAM
COMMENTARY
ORGANISM
UNIPROT
LITERATURE
Hydrolysis of four peptide bonds in the viral precursor polyprotein, commonly with Asp or Glu in the P6 position, Cys or Thr in P1 and Ser or Ala in P1'
show the reaction diagram
-
-
-
-
REACTION TYPE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
hydrolysis of peptide bond
-
-
-
-
SYNONYMS
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
Cpro-2
-
-
-
-
Cpro-2 proteinase
-
-
-
-
Den2 protease
-
-
-
-
HCV NS3 protease
-
-
-
-
HCV NS3/4A
-
-
Hepacivirin
-
-
-
-
hepatitis C virus NS3 serine protease
-
-
-
-
non-structural 3 protein
-
-
nonstructural 3 protease
-
-
nonstructural protein 3
-
-
NS2/3 protease
-
NS2B-NS3 proteinase
-
-
-
-
NS2B/NS3 protease
-
-
NS2B/NS3 protease
-
-
NS3
-
-
-
-
NS3 protease
-
-
-
-
NS3 protease
-
-
NS3 protease
Hepatitis C virus J
-
-
-
NS3 protease
-
-
NS3 protease
-
-
NS3 protease
-
-
NS3 proteinase
-
-
-
-
NS3 serine protease
-
-
-
-
NS3 serine protease
-
-
NS3 serine proteinase
-
-
-
-
NS3 serine proteinase
-
-
NS3 serine proteinase
-
-
NS3-4A serine protease
Hepatitis C virus H
-
-
-
NS3-4A serine protease complex
-
-
-
-
NS3-4A serine proteinase
-
-
NS3-NS4A protease
-
-
-
-
NS3-NS4A protease
-
-
NS3/4A protease
-
-
-
NS3/4A serine protease
-
-
NS5A-5B protease
-
-
-
-
P70
-
-
-
-
polyprotein-processing proteinase NS3
-
-
-
-
proteinase NS3
-
-
-
-
proteinase, polyprotein-processing, NS3
-
-
-
-
sc-protease
-
single-chain NS3 protease domain
sc-protease
Hepatitis C virus J
-
single-chain NS3 protease domain
-
serine protease NS3
-
-
serine proteinase NS3
-
-
-
-
CAS REGISTRY NUMBER
COMMENTARY
149885-80-3
-
ORGANISM
COMMENTARY
LITERATURE
UNIPROT
SEQUENCE DB
SOURCE
; type 1b
-
-
Manually annotated by BRENDA team
expression in human osteosarcoma cells
-
-
Manually annotated by BRENDA team
genotype 1a, 1b, and 3a
-
-
Manually annotated by BRENDA team
genotype 1b
-
-
Manually annotated by BRENDA team
genotype 4a
-
-
Manually annotated by BRENDA team
genotypes 1a, 1b, and 3a
-
-
Manually annotated by BRENDA team
genotypes 1b
-
-
Manually annotated by BRENDA team
genotypes 1b, 2a, 4a, 5a, and 6a
-
-
Manually annotated by BRENDA team
strain H
-
-
Manually annotated by BRENDA team
strain J
-
-
Manually annotated by BRENDA team
genotype 4a
-
-
Manually annotated by BRENDA team
Hepatitis C virus H
strain H
-
-
Manually annotated by BRENDA team
Hepatitis C virus J
strain J
-
-
Manually annotated by BRENDA team
recombinant protein consisting of a 40-residue component of cofactor NS2B tethered via a noncleavable nonapeptide to the N-terminal 184 residues of enzyme
-
-
Manually annotated by BRENDA team
recombinantenzyme
-
-
Manually annotated by BRENDA team
GENERAL INFORMATION
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
physiological function
-
the impact of NS3/4A protease activity and quasispecies complexity on virus clearance after IFN-based therapy is examined in HCV-HIV-1-coinfected patients: NS3/4A protease efficiency in cleaving caspase recruitment domain adaptor-inducing IFN-beta (Cardif) may be associated with the pegIFN-RBV treatment response
physiological function
-
viral NS3/4A protease activity is responsible for inhibition of hepatitis C virus genomic RNA-induced interferon IL-28 expression upon infection. Hepatitis C virus can trigger type III interferon expression in hosts. As a counter measurement, the virus blocks this antiviral response by using its own NS3/4A protease to target the key adaptor molecules that mediate the activation of NK-kappaB and IRF3
physiological function
-
membrane-associated peroxidase GPx8 is a cellular substrate of the hepatitis C virus NS3-4A protease. GPx8 is involved in viral particle production but not in HCV entry or RNA replication
physiological function
-
intrahepatic expression of viral protease NS3/4A makes mice resistant to TNF-alpha-induced liver damage and causes an alteration of the intrahepatic cytokine IFN-g and IL-10 and chemokine CCL3, CCL17, CCL22, CXCL9, and CXCL11 profiles toward an anti-inflammatory state. The number of intrahepatic Th1 cells and IFN-g+ T cells in NS3/4A transgenic mice decreases, whereas the amount of Th2 cells increases. The NS3/4A-mediated effects are reversed by ribavirin treatment
physiological function
-
generation of NS3/4A/Lap/LC-1 triple transgenic mouse liver-specifically and conditionally expressing reporter luciferase Fluc, Cre recombinase and reverse tetracycline-controlled transcriptional activator. NS3/4A protein is strictly and conditionally expressed in the liver of doxycycline-induced triple transgenic mice
physiological function
-
canine hepacivirus protease can disrupt the human innate antiviral defense signaling pathway suggesting a possible evolutionary relationship between canine hepacivirus and hepatitis C virus
SUBSTRATE
PRODUCT                      
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate)
LITERATURE
(Substrate)
COMMENTARY
(Product)
LITERATURE
(Product)
Reversibility
r=reversible
ir=irreversible
?=not specified
2-Naph-3Pya-Lys-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
2-Naph-Cit-Lys-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
2-Naph-Cit-Orn-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
2-Naph-hArg-Lys-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
2-Naph-Lys-AcLys-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
2-Naph-Lys-Arg-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
2-Naph-Lys-Cit-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
2-Naph-Lys-hArg-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
2-Naph-Lys-Lys-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
2-Naph-Lys-Orn-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
2-Naph-Orn-Lys-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
2-Naph-Orn-Orn-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
4-(4-dimethylaminophenylazo)benzoyl-DEMEECASHE-5-(2-aminoethylamino)-1-sulfonic acid + H2O
4-(4-dimethylaminophenylazo)benzoyl-DEMEEC + ASHE-5-(2-aminoethylamino)-1-sulfonic acid
show the reaction diagram
-
-
-
?
7-methoxycoumarin-4-acetyl-DEMEECASHLPYK-(epsilon-NHCOCH3) + H2O
7-methoxycoumarin-4-acetyl-DEMEEC + ASHLPYK-(epsilon-NHCOCH3)
show the reaction diagram
-
-
-
?
7-methoxycoumarin-4-acetyl-EDASTPCSGSN-(4-nitro)Phe + H2O
7-methoxycoumarin-4-acetyl-EDASTPC + SGSN-(4-nitro)Phe
show the reaction diagram
-
-
-
?
9-fluorenylmethyloxycarbonyl-YQEFDEMEECASHLPYIEQG + H2O
9-fluorenylmethyloxycarbonyl-YQEFDEMEEC + ASHLPYIEQG
show the reaction diagram
-
-
-
?
Ac-Aib-Lys-Lys-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
Ac-Aoc-Lys-Lys-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
Ac-Asp-Glu-Asp(EDANS)-Glu-Glu-Abu-psi-(COO)Ala-Ser-Lys(DABCYL)-NH2 + H2O
?
show the reaction diagram
-
-
-
-
?
Ac-Asp-Glu-Asp(EDANS)-Glu-Glu-Abu-psi-[COO]Ala-Ser-Lys(DABCYL)-NH2 + H2O
?
show the reaction diagram
-
-
-
-
?
Ac-Asp-Glu-Asp(EDANS)-Glu-Glu-Abu-PSI[COO]Ala-Ser-Lys(DABCYL) + H2O
?
show the reaction diagram
-
-
-
-
?
Ac-Asp-Glu-Glu(EDANS)-Glu-Glu-AlgPSI[COO]-Ala-Ser-Lys(DABCYL)-amide + H2O
?
show the reaction diagram
-
-
-
-
?
Ac-Asp-Glu-Lys(TAMRA)-Glu-Glu-AbuPSI[COO]-Ala-Ser-Lys(QSY-7)-amide + H2O
?
show the reaction diagram
-
efficient substrate for the protease
-
-
?
Ac-Cha-Lys-Lys-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
Ac-Chg-Lys-Lys-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
Ac-DED-(EDANS)-EEAbupsi[COO]ASK(Dabcyl)-NH2 + H2O
?
show the reaction diagram
-
-
-
-
?
Ac-DEEMECASHLPYK-NH2 + H2O
Ac-DEEMEC + ASHLPYK-NH2
show the reaction diagram
-
-
-
?
Ac-DPNRKR-4-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
Ac-DTEDVVP(Nva)-O-4-PAP + H2O
?
show the reaction diagram
-
-
-
-
?
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester + H2O
?
show the reaction diagram
-
-
-
?
Ac-EMEECASHLP + H2O
Ac-EMEEC + ASHLP
show the reaction diagram
-
-
-
?
Ac-FASGKR-4-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
Ac-KPGLKR-4-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
Ac-L-Asp-L-Glu-L-Asp-(EDANS)-L-Glu-L-Glu-alpha-aminobutyric acid-PSI[COO]-L-Ala-L-Ser-L-Lys-(DABCYL)-NH2 + H2O
?
show the reaction diagram
-
-
-
-
?
Ac-Leu-3Pya-Lys-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
Ac-Leu-4Pya-Lys-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
Ac-Leu-aPhe-Lys-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
Ac-Leu-Cit-Lys-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
Ac-Leu-Gln-Tyr-Thr-Lys-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
Ac-Leu-hArg-Lys-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
Ac-Leu-Lys-Lys-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
Ac-Leu-nPhe-Lys-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
Ac-Leu-Orn-Lys-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
Ac-LQYTKR-4-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
Ac-Nle-Lys-Lys-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
Ac-Nva-Lys-Lys-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
Ac-Tbg-Lys-Lys-Arg-p-nitroanilide + H2O
?
show the reaction diagram
-
-
-
-
?
Ac-YQEFDEMEECAS + H2O
Ac-YQEFDEMEEC + AS
show the reaction diagram
-
-
-
?
Ac-YQEFDEMEECASH + H2O
Ac-YQEFDEMEEC + ASH
show the reaction diagram
-
-
-
?
Ac-YQEFDEMEECASHL + H2O
Ac-YQEFDEMEEC + ASHL
show the reaction diagram
-
-
-
?
Ac-YQEFDEMEECASHLP + H2O
Ac-YQEFDEMEEC + ASHLP
show the reaction diagram
-
-
-
?
acetyl-Asp-Glu-Asp-(5-[(2'-aminoethyl)-amino]naphthalenesulfonic acid)-Glu-Glu-(alpha-aminobutyryl)PSI[COO]Ala-Ser-Lys-(4-[[4'-(dimethylamino)phenyl]azo]-benzoic acid)-NH2 + H2O
?
show the reaction diagram
-
-
-
-
?
acetyl-DED(EDANS)EEalpha-aminobutyryl-psi(COO)ASK(DABCYL)-NH2 + H2O
?
show the reaction diagram
Hepatitis C virus, Hepatitis C virus H
-
-
-
-
?
acetyl-DEMEECASHLPYL-(epsilon-NHCOCH3) + H2O
acetyl-DEMEEC + ASHLPYL-(epsilon-NHCOCH3)
show the reaction diagram
-
-
-
?
acetyl-DTEDVVCCSMSYTWTGK + H2O
?
show the reaction diagram
-
-
-
-
?
acetyl-DTEDVVP-norvaline-O-4-phenylazophenol + H2O
?
show the reaction diagram
-
-
-
-
?
anthraniloyl-DDIVP-Abu[C(O)-O] AMY(3-NO2)-TW-OH + H2O
?
show the reaction diagram
-
-
-
-
?
anthranilyl-DDIVPAbu[C(O)-O]AMY(3-NO2)TW-OH + H2O
?
show the reaction diagram
Hepatitis C virus, Hepatitis C virus J
-
-
-
-
?
Boc-Gly-Arg-Arg-AMC + H2O
?
show the reaction diagram
-
-
-
-
?
Boc-RVRR-7-amido-4-methylcoumarin + H2O
?
show the reaction diagram
-
-
-
-
?
Bz-nKRR-7-amino-4-methylcoumarin + H2O
?
show the reaction diagram
-
-
-
-
?
Bz-Nle-Lys-Arg-Arg-AMC + H2O
?
show the reaction diagram
-
-
-
-
?
CARDIF + H2O
?
show the reaction diagram
-
-
-
-
?
CARDIF + H2O
?
show the reaction diagram
-
NS3-4A cleaves Cardif (adaptor protein of retinoic acid-inducible gene I or melanoma differentiation-associated gene-5), resulting in an interruption of the Cardif-mediated pathway in non-neoplastic human hepatocyte PH5CH8 cells
-
-
?
CARDIF + H2O
?
show the reaction diagram
-
NS3-4A cleaves Cardif (CARD adaptor-inducing) by generating a 70 kDa fragment. NS3-4A-mediated cleavage, is not caspase-dependent. Cardif mutant C508A is resistant to NS3-4A-mediated cleavage
-
-
?
caspase recruitment domain adaptor-inducing IFN-beta (Cardif) + H2O
?
show the reaction diagram
-
-
-
-
?
CD8-1 + H2O
?
show the reaction diagram
-
synthetic substrate consisting of lymphocyte surface antigen CD8alpha, an enzyme cleavage site and a membrane anchor featuring an endoplasmic reticulum retention sequence
-
-
?
DCSTPCSGSW-NH2 + H2O
DCSTPC + SGSW-NH2
show the reaction diagram
-
-
-
?
DDICPCSMSYTW-OH + H2O
DDICPC + SMSYTW-OH
show the reaction diagram
-
-
-
?
DEMEECASHLPYK + H2O
DEMEEC + ASHLPYK
show the reaction diagram
-
-
-
?
DEMEECSQHLPYI + H2O
DEMEEC + SQHLPYI
show the reaction diagram
-
-
-
?
DTEDVVCCSMSYTWTGK + H2O
DTEDVVCC + SMSYTWTGK
show the reaction diagram
-
-
-
?
EAGDDIVPCSMSYTWTGA-OH + H2O
EAGDDIVPC + SMSYTWTGA-OH
show the reaction diagram
-
-
-
?
EAGDNIVPCSMSYTWTGA-OH + H2O
EAGDNIVPC + SMSYTWTGA-OH
show the reaction diagram
-
-
-
?
EAGNDIVPCSMSYTWTGA-OH + H2O
EAGNDIVPC + SMSYTWTGA-OH
show the reaction diagram
-
-
-
?
EAGNNIVPCSMSYTWTGA-OH + H2O
EAGNNIVPC + SMSYTWTGA-OH
show the reaction diagram
-
-
-
?
ECTTPCSGSWIRD + H2O
ECTTPC + SGSWIRD
show the reaction diagram
-
-
-
?
EDVV-4-aminobutyric acid-CSMSY-NH2 + H2O
EDVV-4-aminobutyric acid-C + SMSY-NH2
show the reaction diagram
-
-
-
?
EDVV-4-aminobutyryl-CSMSY + H2O
EDVV-4-aminobutyryl-C + SMSY
show the reaction diagram
-
-
-
?
EDVV-4-aminobutyryl-CSMSY + H2O
EDVV-4-aminobutyryl-C + SMSY
show the reaction diagram
Hepatitis C virus, Hepatitis C virus H
-
-
-
?
EDVV-Abu-CSMSY + H2O
?
show the reaction diagram
-
-
-
-
?
EDVVPCSMSYN + H2O
?
show the reaction diagram
-
-
-
?
Glu-Asp-Val-Val-4-aminobutyryl-Cys-p-nitroanilide + H2O
Glu-Asp-Val-Val-4-aminobutyryl-Cys + 4-nitroaniline
show the reaction diagram
-
-
-
?
hepatitis C virus polyprotein + H2O
?
show the reaction diagram
-
mutational cleavage
-
-
?
hepatitis C virus polyprotein + H2O
?
show the reaction diagram
-
the enzyme is essential for processing of viral polyprotein
-
-
?
hepatitis virus C polyprotein + H2O
?
show the reaction diagram
-
maturation of the viral polyprotein
-
-
-
Hepatitis virus C polyprotein NS5A/NS5B + H2O
?
show the reaction diagram
123% catalytic efficiency
-
-
?
Hepatitis virus C polyprotein NS5A/NS5B + H2O
?
show the reaction diagram
165% catalytic efficiency
-
-
?
Hepatitis virus C polyprotein NS5A/NS5B + H2O
?
show the reaction diagram
23.5% catalytic efficiency
-
-
?
Hepatitis virus C polyprotein NS5A/NS5B + H2O
?
show the reaction diagram
38.4% catalytic efficiency
-
-
?
Hepatitis virus C polyprotein NS5A/NS5B + H2O
?
show the reaction diagram
39.1% catalytic efficiency
-
-
?
Hepatitis virus C polyprotein NS5A/NS5B + H2O
?
show the reaction diagram
53.2% catalytic efficiency
-
-
?
Hepatitis virus C polyprotein NS5A/NS5B + H2O
?
show the reaction diagram
58.8% catalytic efficiency
-
-
?
Hepatitis virus C polyprotein NS5A/NS5B + H2O
?
show the reaction diagram
68.4% catalytic efficiency
-
-
?
Hepatitis virus C polyprotein NS5A/NS5B + H2O
?
show the reaction diagram
70.6% catalytic efficiency
-
-
?
Hepatitis virus C polyprotein NS5A/NS5B + H2O
?
show the reaction diagram
72.6% catalytic efficiency
-
-
?
Hepatitis virus C polyprotein NS5A/NS5B + H2O
?
show the reaction diagram
73.9% catalytic efficiency
-
-
?
Hepatitis virus C polyprotein NS5A/NS5B + H2O
?
show the reaction diagram
86.5% catalytic efficiency
-
-
?
human mitochondrial antiviral signaling protein + H2O
?
show the reaction diagram
-
-
-
-
?
interferon promoter stimulator-1 + H2O
?
show the reaction diagram
-
protease domain of NS3-4A is sufficient for targeting and cleavage. Targeted cleavage inhibits downstream signaling to interferon regulatory factor-3 and nuclear factor kappaB
-
-
?
MAVS/IPS-1 + H2O
?
show the reaction diagram
-
-
-
-
?
myelin basic protein + H2O
?
show the reaction diagram
-
-
-
-
?
non-structural protein NS5B of hepatitis C virus + H2O
? + DDIVPC-OH
show the reaction diagram
-
-
-
?
non-structural protein NS5B of hepatitis C virus + H2O
? + DDIVPC-OH
show the reaction diagram
-
-
N-terminal hexapeptide
?
NS5A/5B + H2O
?
show the reaction diagram
-
-
-
-
?
NS5A/B polyprotein + H2O
?
show the reaction diagram
-
-
-
-
?
NS5AB polyprotein + H2O
?
show the reaction diagram
-
-
-
-
?
o-aminobenzoyl (Abz)-L-Asp-L-Asp-L-Ile-L-Val-L-Pro-L-Cys-L-Ser-L-Met-L-Ser-L-Tyr(3-NO2)-L-Thr-NH2 + H2O
?
show the reaction diagram
-
i.e. IQGS-1, internally quenched fluorogenic substrate
-
-
?
peroxidase GPx8 + H2O
?
show the reaction diagram
-
-
membrane-associated peroxidase GPx8 is a cellular substrate of the hepatitis C virus NS3-4A protease. Cleavage by NS3-4A occurs at Cys11, removing the cytosolic tip of GPx8, and is observed in different experimental systems as well as in liver biopsies from patients with chronic HCV
-
?
precursor polyprotein of hepatitis C virus + H2O
?
show the reaction diagram
-
-
-
-
?
Pyr-RTKR-7-amido-4-methylcoumarin + H2O
?
show the reaction diagram
-
-
-
-
?
RetS1 peptide substrate + H2O
?
show the reaction diagram
-
-
-
-
?
SEAP-1 + H2O
?
show the reaction diagram
-
synthetic substrate consisting of alkaline phosphatase, an enzyme cleavage site and a membrane anchor featuring an endoplasmic reticulum retention sequence
-
-
?
succinyl-DEMEECASHPYPY-NH2 + H2O
succinyl-DEMEEC + ASHPYPY-NH2
show the reaction diagram
-
-
-
?
succinyl-EDVVPCSMYSTW-NH2 + H2O
?
show the reaction diagram
-
-
-
-
?
Toll-IL-1 receptor domain-containing adaptor inducing interferon-beta + H2O
?
show the reaction diagram
-
-
-
-
?
TRIF + H2O
?
show the reaction diagram
-
-
-
-
?
viral polyprotein + H2O
?
show the reaction diagram
-
-
-
-
?
viral polyprotein + H2O
?
show the reaction diagram
-
proteolytic cleavage at the four junctions NS3/NS4A, NS5A/NS5B, NS4A/NS4B and NS4B/NS5A. NS3-dependent cleavage sites of the polyprotein have the consensus sequence Asp/Glu-(Xaa)4-Cys/Thr-Ser/Ala-(Xaa)2-Leu/Trp/Tyr, with the most efficient cleavage occurring after cysteine
-
-
?
Z-RR-7-amido-4-methylcoumarin + H2O
?
show the reaction diagram
-
-
-
-
?
mitochondrial antiviral signaling protein + H2O
?
show the reaction diagram
-
i.e. MAVS, cleavage at Cys-508
-
-
?
additional information
?
-
-
decameric peptide spanning from P6-P4' required as a minimum
-
-
-
additional information
?
-
-
ATPase activity
-
-
-
additional information
?
-
-
cleavage pattern for structural and non-structural proteins of hepatitis C virus
-
-
-
additional information
?
-
-
no substrate: Boc-AGPR-AMC, Boc-QAR-AMC, Boc-O-benzyl-EGR-pNA
-
-
-
additional information
?
-
-
substrate P1 R residue strongly interacts with S1 residues D129, Y150, and S163. P2 K residue makes an essential interaction with N152 at S2
-
-
-
additional information
?
-
-
chimeric form of the Gal4VP16 transcription factor is activated in the presence of the hepatitis C virus NS3/4A protease to induce different reporter genes (choramphenical acetyltransferase, green fluorescent protein and the cell-surface marker H-2Kk) through the (Gal4)5-E1b promoter. NS5A/5B trans-cleavage motif of hepatitis C virus of genotype 1a inserted between Gal4VP16 and the N terminus of the endoplasmic reticulum-resident protein PERK is cleaved specifically by NS3/4A
-
-
-
additional information
?
-
-
enzyme's requirement of peptide substrates of 10 amino acids in length, spanning from P6 to P4'
-
-
-
additional information
?
-
-
no activity with 2-Naph-Lys-aPhe-Arg-p-nitroanilide, 2-Naph-Lys-nLeu-Arg-p-nitroanilide and 2-Naph-Lys-Phe-Arg-p-nitroanilide
-
-
-
additional information
?
-
NS2/3 precursor is able to auto-cleave
-
-
-
additional information
?
-
-
NS3-4A lacks the ability to cleave endogenous TRIF, regardless of HCV strains derived from patients with different stages of hepatic disease. Inflammatory cytokine production by NF-kappaB activation via the TRIF-mediated pathway also remains unsuppressed by NS3-4A
-
-
-
additional information
?
-
-
NS3 needs NS4a as a cofactor
-
-
-
additional information
?
-
-
NS3/4A protease is responsible for cleaving the viral polyprotein at junctions 3-4A, 4A4B, 4B5A, and 5A5B and two host cell adaptor proteins of the innate immune response, TRIF and MAVS
-
-
-
additional information
?
-
-
comparison of the cleavage efficiencies of all known HCV NS3-4A cleavage sequences in a cell-based system is reported. NS4B/NS5A and NS5A/NS5B are both processed efficiently in trans, in contrast to NS3/NS4A and NS4A/NS4B, which are not processed significantly above background. ER-anchoring of the substrate is critical for its cleavage by NS3-4A. Other HCV proteins or replicase components do not change NS3-4A substrate selectivity or activity
-
-
-
NATURAL SUBSTRATES
NATURAL PRODUCTS
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate)
LITERATURE
(Substrate)
COMMENTARY
(Product)
LITERATURE
(Product)
REVERSIBILITY
r=reversible
ir=irreversible
?=not specified
CARDIF + H2O
?
show the reaction diagram
-
NS3-4A cleaves Cardif (adaptor protein of retinoic acid-inducible gene I or melanoma differentiation-associated gene-5), resulting in an interruption of the Cardif-mediated pathway in non-neoplastic human hepatocyte PH5CH8 cells
-
-
?
CARDIF + H2O
?
show the reaction diagram
-
NS3-4A cleaves Cardif (CARD adaptor-inducing) by generating a 70 kDa fragment. NS3-4A-mediated cleavage, is not caspase-dependent. Cardif mutant C508A is resistant to NS3-4A-mediated cleavage
-
-
?
caspase recruitment domain adaptor-inducing IFN-beta (Cardif) + H2O
?
show the reaction diagram
-
-
-
-
?
hepatitis C virus polyprotein + H2O
?
show the reaction diagram
-
mutational cleavage
-
-
?
hepatitis C virus polyprotein + H2O
?
show the reaction diagram
-
the enzyme is essential for processing of viral polyprotein
-
-
?
hepatitis virus C polyprotein + H2O
?
show the reaction diagram
-
maturation of the viral polyprotein
-
-
-
mitochondrial antiviral signaling protein + H2O
?
show the reaction diagram
-
i.e. MAVS, cleavage at Cys-508
-
-
?
additional information
?
-
-
NS3-4A lacks the ability to cleave endogenous TRIF, regardless of HCV strains derived from patients with different stages of hepatic disease. Inflammatory cytokine production by NF-kappaB activation via the TRIF-mediated pathway also remains unsuppressed by NS3-4A
-
-
-
additional information
?
-
-
NS3/4A protease is responsible for cleaving the viral polyprotein at junctions 3-4A, 4A4B, 4B5A, and 5A5B and two host cell adaptor proteins of the innate immune response, TRIF and MAVS
-
-
-
COFACTOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
KKGSVVIVGRIVLSCK
-
-
KKGSVVIVGRIVLSGK
-
NS4A cofactor
KKGSVVIVGRIVLSGK
-
cofactor peptide KK4A
KKGSVVIVGRIVLSGK
-
-
KKGSVVIVGRIVLSGKPAIIPKK
-
NS-4A cofactor
additional information
-
NS4 required
-
additional information
-
solution structure and dynamics of the single-chain hepatitis C virus NS3 protease NS4A cofactor complex. The NS4A-bound NS3 protease is in slow conformation exchange with the NS4A-free conformation
-
additional information
-
NS2B required
-
additional information
-
requires the noncovalently-associated viral protein NS4A for optimal catalytic activity. NS4A increases the enzymatic activity of NS3 by stabilizing the N-terminal domain of the protease, by optimizing the orientation of the residues of the catalytic triad and by contributing to the formation of the substrate recognition site
-
additional information
-
NS4A cofactor peptide
-
additional information
-
NS4A cofactor, KKGSVVIVGRIVLSGK
-
additional information
-
NS-4A cofactor
-
additional information
-
cofactor NS2B strongly influences the preference of flavivirus proteases for lysine or arginine at P2 in substrates
-
additional information
-
efficient NS3-4A proteolytic activity requires the protease domain and its NS4A cofactor but does not require the NS3 helicase domain
-
additional information
-
full NS3 protease activity requires association with NS4A
-
additional information
-
NS2B domain important in substrate-based inhibitor binding
-
additional information
enhancement of NS3 catalytic efficiency by the NS4A cofactor depends on a few specific amino acid residues; enhancement of NS3 catalytic efficiency by the NS4A cofactor depends on a few specific amino acid residues; enhancement of NS3 catalytic efficiency by the NS4A cofactor depends on a few specific amino acid residues; enhancement of NS3 catalytic efficiency by the NS4A cofactor depends on a few specific amino acid residues; enhancement of NS3 catalytic efficiency by the NS4A cofactor depends on a few specific amino acid residues; enhancement of NS3 catalytic efficiency by the NS4A cofactor depends on a few specific amino acid residues; enhancement of NS3 catalytic efficiency by the NS4A cofactor depends on a few specific amino acid residues; enhancement of NS3 catalytic efficiency by the NS4A cofactor depends on a few specific amino acid residues; enhancement of NS3 catalytic efficiency by the NS4A cofactor depends on a few specific amino acid residues; enhancement of NS3 catalytic efficiency by the NS4A cofactor depends on a few specific amino acid residues; enhancement of NS3 catalytic efficiency by the NS4A cofactor depends on a few specific amino acid residues
-
METALS and IONS
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
Zinc
-
His149 may be an integral part of zinc coordination, may have a structural rather than a catalytic role, effects on protein folding or post-folding stability
Zn2+
both auto-cleavage and NS3 protease activity are zinc-dependent. NS2/3 auto-cleavage activity is more sensitive to zinc chelation by 1,10-phenanthroline than the NS3 protease activity
Zn2+
-
plays a critical role in maintaining structural stability and integrity of the protein
Zn2+
-
zinc-dependent serine protease. zinc ion is not involved in the catalytic mechanism but it is essential for the structural integrity of the protein. The global unfolding heat capacity is dominated by the zinc dissociation step, suggesting that the binding of zinc induces a significant structural rearrangement of the protein. Contrary to other homologous zinc-dependent proteases, the zinc-free NS3 protease is not completely unstructured
Zn2+
-
in the absence of Zn+2, the NS3 protease adopts a partially-folded inactive conformation
INHIBITORS
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
((1R,2S)-1-((2S,4S)-1-((S)-2-(((cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoyl)-4-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)pyrrolidine-2-carboxamido)-2-vinylcyclopropyl)(ethyl)phosphinic acid
-
-
((1R,2S)-1-((2S,4S)-1-((S)-2-(((cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoyl)-4-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)pyrrolidine-2-carboxamido)-2-vinylcyclopropyl)(methyl)phosphinic acid
-
-
(-)-epicatechin-3-O-gallate
-
-
(-)-epigallocatechin-3-O-gallate
-
-
(1'R,21'S,24'S)-21'-tert-butyl-N-((1R,2R)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethylcyclopropyl)-3',19',22'-trioxo-2',18'-dioxa-4',20',23'-triazaspiro[cyclobutane-1,16'-tetracyclo-[21.2.1.14,7.06,11]heptacosane]-6',8',10'-triene-24'-carboxamide
-
-
(1'R,21'S,24'S)-21'-tert-butyl-N-((1R,2R)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethylcyclopropyl)-3',19',22'-trioxo-2',18'-dioxa-4',20',23'-triazaspiro[cyclohexane-1,16'-tetracyclo-[21.2.1.14,7.06,11]heptacosane]-6',8',10'-triene-24'-carboxamide
-
-
(1'R,21'S,24'S)-21'-tert-butyl-N-((1R,2R)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethylcyclopropyl)-3',19',22'-trioxo-2',18'-dioxa-4',20',23'-triazaspiro[cyclopentane-1,16'-tetracyclo-[21.2.1.14,7.06,11]heptacosane]-6',8',10'-triene-24'-carboxamide
-
-
(1'R,21'S,24'S)-21'-tert-butyl-N-((1R,2R)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethylcyclopropyl)-3',19',22'-trioxo-2',18'-dioxa-4',20',23'-triazaspiro[cyclopropane-1,16'-tetracyclo-[21.2.1.14,7.06,11]heptacosane]-6',8',10'-triene-24'-carboxamide
-
-
(10R,13R)-N-(1-[[(2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-10-cyclohexyl-8,11-dioxo-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-13-carboxamide
-
-
(10S,13S)-10-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11-oxo-2,7-dioxa-8-thia-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-13-carboxamide 8,8-dioxide
-
-
(10S,13S)-10-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-8,11-dioxo-2,7-dioxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-13-carboxamide
-
-
(10S,13S)-10-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-8,11-dioxo-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-13-carboxamide
-
-
(10S,13S)-10-cyclohexyl-N-(1-[[(2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-8,11-dioxo-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-13-carboxamide
-
-
(11R,14R)-N-(1-[[(2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11-cyclohexyl-9,12-dioxo-2-oxa-10,13-diazabicyclo[14.3.1]icosa-1(20),16,18-triene-14-carboxamide
-
-
(11S,14S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11-cyclohexyl-9,12-dioxo-1,10,13,17-tetraazabicyclo[14.2.1]nonadeca-16(19),17-diene-14-carboxamide
-
-
(11Z,13aR,15aS)-N-(cyclopropylsulfonyl)-2-([7-methoxy-8-methyl-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl]oxy)-15-oxo-1,2,3,7,8,9,10,12a,13,14,15,15a-dodecahydrocyclopropa[f]pyrrolo[1,2-b][1,2,5]thiadiazacyclotetradecine-13a(6H)-carboxamide 5,5-dioxide
-
most potent inhibitor of the series with sulfonamide linkage. The microsomally predicted clearance numbers is 0.17/0.7 L/h/kg (h/r)
(11Z,13aR,15aS)-N-(cyclopropylsulfonyl)-2-([7-methoxy-8-methyl-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl]oxy)-5,15-dioxo-1,2,3,5,6,7,8,9,10,12a,13,14,15,15a-tetradecahydro-13aH-cyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclotetradecine-13a-carboxamide
-
inhibitor with proline amide linkage, slightly more potent than inhibitors with sulfonamide linkage. The microsomally predicted clearance number is 0.17/0.82 L/h/kg (h/r)
(1R)-1-([(4R)-1-[(2S)-2-[(tert-butoxycarbonyl)amino]heptanoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolyl]amino)-2-ethenylcyclopropanecarboxylic acid
-
50% inhibition at 0.0000004 mM, NMR and molecular dynamics analysis
(1R)-1-([(4R)-1-[(2S)-2-[(tert-butoxycarbonyl)amino]heptanoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolyl]amino)-2-ethenylcyclopropanecarboxylic acid
-
-
(1R)-2-but-3-en-1-yl-1-[[(4R)-1-[(2S)-2-[(tert-butoxycarbonyl)amino]hept-6-enoyl]-4-(quinolin-4-yloxy)-L-prolyl]amino]cyclopropanecarboxylic acid
-
-
(1R,12E,19S,22S)-19-tert-butyl-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-vinylcyclopropyl)-3,17,20-trioxo-2,16-dioxa-4,18,21-triazatetracyclo[19.2.1.14,7.06,11]pentacosa-6,8,10,12-tetraene-22-carboxamide
-
-
(1R,12E,20S,23S)-20-butyl-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-vinylcyclopropyl)-3,18,21-trioxo-2,17-dioxa-4,19,22-triazatetracyclo[20.2.1.14,7.06,11]hexacosa-6,8,10,12-tetraene-23-carboxamide
-
-
(1R,12E,20S,23S)-20-cyclohexyl-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-vinylcyclopropyl)-3,18,21-trioxo-2,17-dioxa-4,19,22-triazatetracyclo[20.2.1.14,7.06,11]hexacosa-6,8,10,12-tetraene-23-carboxamide
-
-
(1R,12E,20S,23S)-20-cyclopentyl-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-vinylcyclopropyl)-3,18,21-trioxo-2,17-dioxa-4,19,22-triazatetracyclo[20.2.1.14,7.06,11]hexacosa-6,8,10,12-tetraene-23-carboxamide
-
-
(1R,12E,20S,23S)-20-tert-butyl-N-((1R,2R)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethylcyclopropyl)-3,18,21-trioxo-2,17-dioxa-4,19,22-triazatetracyclo[20.2.1.14,7.06,11]hexacosa-6,8,10,12-tetraene-23-carboxamide
-
-
(1R,12E,20S,23S)-20-tert-butyl-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-vinylcyclopropyl)-3,18,21-trioxo-2,17-dioxa-4,19,22-triazatetracyclo[20.2.1.14,7.06,11]hexacosa-6,8,10,12-tetraene-23-carboxamide
-
-
(1R,12E,20S,23S)-20-tert-butyl-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-vinylcyclopropyl)-4-methyl-3,18,21-trioxo-2,17-dioxa-4,19,22-triazatricyclo[20.2.1.06,11]pentacosa-6,8,10,12-tetraene-23-carboxamide
-
-
(1R,12E,20S,23S)-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]-carbonyl]-2-vinylcyclopropyl)-20-(1-methylcyclohexyl)-3,18,21-trioxo-2,17-dioxa-4,19,22-triazatetracyclo[20.2.1.14,7.06,11]hexacosa-6,8,10,12-tetraene-23-carboxamide
-
-
(1R,12E,20S,23S)-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]-carbonyl]-2-vinylcyclopropyl)-20-isopropyl-3,18,21-trioxo-2,17-dioxa-4,19,22-triazatetracyclo[20.2.1.14,7.06,11]hexacosa-6,8,10,12-tetraene-23-carboxamide
-
-
(1R,12E,21S,24S)-21-tert-butyl-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-vinylcyclopropyl)-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]heptacosa-6,8,10,12-tetraene-24-carboxamide
-
-
(1R,12E,22S,25S)-22-tert-butyl-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-vinylcyclopropyl)-3,20,23-trioxo-2,19-dioxa-4,21,24-triazatetracyclo[22.2.1.14,7.06,11]octacosa-6,8,10,12-tetraene-25-carboxamide
-
-
(1R,20S,23S)-20-tert-butyl-N-((1R,2R)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethylcyclopropyl)-3,18,21-trioxo-2,17-dioxa-4,19,22-triazatetracyclo[20.2.1.14,7.06,11]hexacosa-6,8,10-triene-23-carboxamide
-
-
(1R,20S,23S)-20-tert-butyl-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-vinylcyclopropyl)-3,18,21-trioxo-2,17-dioxa-4,19,22-triazatetracyclo[20.2.1.14,7.06,11]hexacosa-6,8,10-triene-23-carboxamide
-
-
(1R,21S,24S)-21-(tert-butoxymethyl)-N-((1R,2R)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethylcyclopropyl)-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]-heptacosa-6,8,10-triene-24-carboxamide
-
-
(1R,21S,24S)-21-cyclohexyl-N-((1R,2R)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethylcyclopropyl)-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]-heptacosa-6,8,10-triene-24-carboxamide
-
-
(1R,21S,24S)-21-tert-butyl-N-((1R,2R)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethylcyclopropyl)-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]heptacosa-6,8,10-triene-24-carboxamide
-
-
(1R,21S,24S)-N-((1R,2R)-1-[[(cyclopropylsulfonyl)amino]-carbonyl]-2-ethylcyclopropyl)-16,16-dimethyl-21-(1-methylcyclohexyl)-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]heptacosa-6,8,10-triene-24-carboxamide
-
-
(1R,2S)-1-[([(1R,2R,4S)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopentyl]carbonyl)amino]-2-ethenylcyclopropanecarboxylic acid
-
-
(1R,2S)-1-[([(1R,4R)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)amino]-2-ethenylcyclopropanecarboxylic acid
-
-
(1R,2S)-1-[([(1R,4R)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)amino]-2-ethenylcyclopropanecarboxylic acid
-
-
(1R,2S)-1-[([(1S,4S)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)amino]-2-ethenylcyclopropanecarboxylic acid
-
-
(1R,2S)-1-[([(1S,4S)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)amino]-2-ethenylcyclopropanecarboxylic acid
-
-
(1R,2S)-1-[[(1R,2R,4S)-2-((S)-1-cyclopentylcarbamoyl-2,2-dimethyl-propylcarbamoyl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopentanecarbonyl]-amino]-2-vinyl-cyclopropanecarboxylic acid
-
-
(1R,2S)-1-[[(1R,2R,4S)-2-((S)-1-tert-butylcarbamoyl-2,2-dimethyl-propylcarbamoyl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopentanecarbonyl]-amino]-2-vinyl-cyclopropanecarboxylic acid
-
-
(1R,2S)-1-[[(1R,2R,4S)-2-[(S)-1-[((S)-cyclohexyldimethylcarbamoyl-methyl)-carbamoyl]-2,2-dimethylpropylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopentanecarbonyl]-amino]-2-vinyl-cyclopropanecarboxylic acid
-
-
(1R,2S)-1-[[(1R,2R,4S)-2-[(S)-1-[((S)-cyclohexylmethylcarbamoyl-methyl)-carbamoyl]-2,2-dimethyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopentanecarbonyl]-amino]-2-vinyl-cyclopropanecarboxylic acid
-
-
(1R,2S)-1-[[(1R,2R,4S)-2-[(S)-1-[((S)-cyclohexylmethylcarbamoyl-methyl)-methyl-carbamoyl]-2,2-dimethyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopentanecarbonyl]-amino]-2-vinyl-cyclopropanecarboxylic acid
-
-
(1R,2S)-1-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl](methyl)carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]-2-ethenylcyclopropanecarboxylic acid
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(1R,2S)-1-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2-methylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]-2-ethenylcyclopropanecarboxylic acid
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(1R,5S)-3-(N-[[(1S)-1-cyclohexyl-2-cyclopropyl-2-oxoethyl]carbamoyl]-3-methyl-L-valyl)-N-[1-(cyclopropylamino)-1,2-dioxohept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
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(1R,5S)-3-[2(S)-[[[[1-[(1-azetidinylsulfonyl)methyl]-cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]butyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
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(1R,5S)-3-[2(S)-[[[[1-[[[cyclobutyl(methyl)amino]sulfonyl]methyl]cyclohexyl]amino] carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
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(1R,5S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
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(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyll]-butyl]-3-[2(S)-[[[[1-[[(dimethylamino)sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
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(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[(2S)-2-[[[[1-[1(R)-[(dimethylamino)sulfonyl]ethyl]-cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyll-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
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(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[(2S)-[[[[1-[1(S)-[(dimethylamino)sulfonyl]ethyl]-cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyll-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
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(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[2(S)-[[[[1-(2-cyclopropyl-1,1-dioxido-5(R)-isothiazolidinyl)cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
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(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[2(S)-[[[[1-[[[(2-fluoro-1,1-dimethylethyl)methylamino]sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]-hexane-2(S)-carboxamide
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(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[2(S)-[[[[1-[[[(cyclopropylmethyl)methylamino]sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
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(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[2(S)-[[[[1-[[[cyclopropyl(1-methylethyl)amino]-sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
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(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[2(S)-[[[[1-[[[cyclopropyl(methyl)amino]sulfonyl]-methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
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(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[2(S)-[[[[1-[[[ethyl(methyl)amino]sulfonyl]methyl]-cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
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(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[3,3-dimethyl-2(S)-[[[[1-[(4-morpholinylsulfonyl)-methyl]cyclohexyl]amino]carbonyl]amino]-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
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(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[3,3-dimethyl-2(S)-[[[[1-[[(methylamino)sulfonyl]-methyl]cyclohexyl]amino]carbonyl]amino]-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
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(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[3,3-dimethyl-2(S)-[[[[1-[[[methyl(1-me5thylethyl)-amino]sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
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(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-pemtyl]-3-[2(S)-[[[[1-[[[cyclopropyl(methyl)amino]sulfonyl]-methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
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(1R,5S)-N-[3-(cyclopropylamino)-1(S)-(2-cyclopropylethyl)-2,3-dioxopropyl]-3-[2(S)-[[[[1-[[[cycloppropyl(methyl)-amino]sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]-hexane-2(S)-carboxamide
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(1R,5S)-N-[3-(cyclopropylamino)-1(S)-(cyclopropylmethyl)-2,3-dioxopropyl]-3-[2(S)-[[[[1-[[[cyclopropyl(methyl)-amino]sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]-hexane-2(S)-carboxamide
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(1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3-[2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide
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Boceprevir: EC50 and EC90 values, determined in a bicistronic, subgenomic, cell-based replicon assay run over 72 h using Huh-7 hepatoma cells, are 200 and 400 nM, respectively. Preclinical, metabolism and pharmacokinetics data are very promising. Currently ongoing phase II clinical trials demonstrate the compound to be well tolerated
(1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide
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(1S,5R)-6,6-dichloro-3-[cyclohexyl[[[(1,1-dimethylethyl)amino]carbonyl]amino]acetyl]-N-[1-[1,2-dioxo-2-(2-propenylamino)ethyl]butyl]-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide
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(1S,5R)-N-((S)-5-cyclopropyl-1-(cyclopropylamino)-1,2-dioxopentan-3-yl)-3-((S)-2-(3-(1-((N-cyclopropyl-N-methylsulfamoyl)methyl)cyclohexyl)ureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
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(1S,5R)-N-(1-amino-5,5-difluoro-1,2-dioxoheptan-3-yl)-3-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
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(1S,5R)-N-(1-amino-5,5-difluoro-1,2-dioxohexan-3-yl)-3-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
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(1S,5R)-N-(1-amino-6,6,6-trifluoro-1,2-dioxohexan-3-yl)-3-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
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(1S,5R)-N-(1-amino-7,7,7-trifluoro-1,2-dioxoheptan-3-yl)-3-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
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(1S,5R)-N-(4-amino-1-((1s,3S)-3-hydroxycyclobutyl)-3,4-dioxobutan-2-yl)-3-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
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(1S,5R)-N-(4-amino-1-(1-fluorocyclobutyl)-3,4-dioxobutan-2-yl)-3-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
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(1S,5R)-N-(4-amino-1-(1-hydroxycyclobutyl)-3,4-dioxobutan-2-yl)-3-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
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(1S,5R)-N-(4-amino-1-(2,2-difluorocyclopropyl)-3,4-dioxobutan-2-yl)-3-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
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(1S,5R)-N-(4-amino-1-(3,3-difluorocyclobutyl)-3,4-dioxobutan-2-yl)-3-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
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(1S,5R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
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(1S,5R)-N-(5-amino-1,1,1-trifluoro-4,5-dioxopentan-3-yl)-3-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
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(2-(3-((12-cyclohexyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo-(14.3.1.17,10)henicosa-1(19),16(20),17-triene-9-carbonyl)amino)-2-oxohexanoylamino)acetylamino)phenylacetic acid
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(2-(3-((12-cyclohexyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo-(14.3.1.17,10)henicosa-1(19),16(20),17-triene-9-carbonyl)amino)-2-oxohexanoylamino)acetylamino)phenylacetic acid tert-butyl ester
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(2-(3-((12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,-13-diazatricyclo(14.3.1.17,10)henicosa-1(19),16(20),17-triene-9-carbonyl)amino)-2-oxohexanoylamino)acetylamino)phenylacetic acid tert-butyl ester
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(2-(3-((3-cyclohexyl-2,5-dioxo-12-oxa-1,4-diazatricyclo(11.5.3.016,20)henicosa-13(21),14,16(20)-triene-18-carbonyl)amino)-2-oxohexanoylamino)acetylamino)phenylacetic acid
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(2-(3-((3-cyclohexyl-2,5-dioxo-12-oxa-1,4-diazatricyclo(11.5.3.016,20)henicosa-13(21),14,16(20)-triene-18-carbonyl)amino)-2-oxohexanoylamino)acetylamino)phenylacetic acid tert-butyl ester
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(2R)-([N-[3-([[(9S,12S)-12-cyclohexyl-11,14-dioxo-2,10-dioxa-13-azatricyclo[15.2.2.13,7]docosa-1(19),3(22),4,6,17,20-hexaen-9-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid
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(2R)-([N-[3-([[(9S,12S)-12-cyclohexyl-11,14-dioxo-2-oxa-10,13-diazatricyclo[15.2.2.13,7]docosa-1(19),3(22),4,6,17,20-hexaen-9-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid
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(2R)-([N-[3-([[(9S,12S)-12-cyclohexyl-11,14-dioxo-2-oxa-10,13-diazatricyclo[16.2.2.13,7]tricosa-1(20),3(23),4,6,18,21-hexaen-9-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid
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(2R)-2-(acetylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
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(2R)-2-[(tert-butoxycarbonyl)amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
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(2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-[(7-methoxy-2-phenylquinazolin-4-yl)oxy]-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
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(2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-[(7-methoxy-8-methyl-2-phenylquinazolin-4-yl)oxy]-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
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(2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-[(7-methoxy-8-methylquinazolin-4-yl)oxy]-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
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(2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-[[2-(4-fluorophenyl)-7-methoxy-8-methylquinazolin-4-yl]oxy]-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
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(2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-[[7-methoxy-2-(4-methoxyphenyl)-8-methylquinazolin-4-yl]oxy]-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
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(2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-[[7-methoxy-8-methyl-2-(6-methylpyridin-2-yl)quinazolin-4-yl]oxy]-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
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(2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-[[7-methoxy-8-methyl-2-(pyridin-3-yl)quinazolin-4-yl]oxy]-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
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(2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-[[7-methoxy-8-methyl-2-(pyridin-4-yl)quinazolin-4-yl]oxy]-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
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(2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-5-methyl-2-[[2-(morpholin-4-yl)quinazolin-4-yl]oxy]-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
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(2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-5-methyl-4,14-dioxo-2-[(2-phenylquinazolin-4-yl)oxy]-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
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(2R,4S,7S,14Z)-7-tert-butyl-N-[(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl]-6,9-dioxo-3,4,6,7,8,9,12,13-octahydro-2H,11H-16,18-etheno-2,5-methanopyrido[2,3-k][1,10,3,6]dioxadiazacyclononadecine-4-carboxamide
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(2R,6R,12Z,13aR,14S,16aS)-6-[[(cyclopentyloxy)carbonyl]amino]-2-([7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy)-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14-carboxylic acid
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(2R,6S,10E,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-5,16-dioxo-1,2,3,6,7,8,9,12,13,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
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50% inhibition at 0.000077 mM, NMR and molecular dynamics analysis
(2R,6S,10E,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-5,16-dioxo-1,2,3,6,7,8,9,12,13,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
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(2R,6S,10E,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-5,16-dioxo-2-(quinolin-4-yloxy)-1,2,3,6,7,8,9,12,13,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
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(2R,6S,10Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-5,16-dioxo-1,2,3,6,7,8,9,12,13,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
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(2R,6S,12Z,13aS,14aR,16aS)-6-[[(cyclopentyloxy)carbonyl]amino]-2-([7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy)-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine
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(2R,6S,12Z,14aR,16aS)-2-[(8-chloro-2-ethoxyquinolin-4-yl)oxy]-6-[[(cyclopentyloxy)carbonyl]amino]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
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(2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-([7-methoxy-2-[2-(methylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy)-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
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(2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
-
50% inhibition at 0.000011 mM, NMR and molecular dynamics analysis
(2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
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(2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[(7-methoxyquinolin-4-yl)oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
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-
(2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[[(4-fluoro-1,3-dihydro-2H-isoindol-2-yl)carbonyl]oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
-
-
(2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[[2-(1H-imidazol-1-yl)-7-methoxyquinolin-4-yl]oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
-
-
(2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[[7-methoxy-2-(1H-pyrazol-1-yl)quinolin-4-yl]oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
-
-
(2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[[7-methoxy-2-(1H-pyrrol-1-yl)quinolin-4-yl]oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
-
-
(2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[[7-methoxy-2-(4-methyl-1H-pyrazol-1-yl)quinolin-4-yl]oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
-
-
(2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[[7-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
-
-
(2R,6S,12Z,14aR,16aS)-6-[[(cyclopentyloxy)carbonyl]amino]-2-[(5-ethoxythieno[3,2-b]pyridin-7-yl)oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
-
-
(2R,6S,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-5,16-dioxohexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
-
50% inhibition at 0.000027 mM, NMR and molecular dynamics analysis
(2R,6S,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-5,16-dioxohexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
-
-
(2S)-([N-[3-([[(10S,13S)-10-cyclohexyl-8,11-dioxo-2,7-dioxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-13-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid
-
-
(2S)-([N-[3-([[(3S,18S)-18-cyclohexyl-16,19-dioxo-3,4-dihydro-1H-7,2-(epoxyheptanoiminoethano)isoquinolin-3-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid
-
-
(2S)-([N-[3-([[(3S,6S)-6-cyclohexyl-5,8-dioxo-4,7-diazabicyclo[14.3.1]icosa-1(20),16,18-trien-3-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid
-
-
(2S)-([N-[3-([[(7R,9S,12S)-12-cyclohexyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-trien-9-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid
-
-
(2S)-([N-[3-([[(9S,12S)-12-cyclohexyl-11,14-dioxo-2-oxa-10,13-diazatricyclo[17.2.2.13,7]tetracosa-1(21),3(24),4,6,19,22-hexaen-9-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid
-
-
(2S)-2-[(tert-butoxycarbonyl)amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
-
-
(2S)-2-[([(1R,4R)-2-[[(1R)-1-[[(1R)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2-methylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)amino]butanoic acid
-
-
(2S)-2-[[(2-[[(1S)-1-(methoxycarbonyl)-2-methylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]butanoic acid
-
-
(2S)-2-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]butanoic acid
-
-
(2S)-2-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]butanoic acid
-
-
(2S)-2-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2-methylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]butanoic acid
-
-
(2S)-[([[3-([[(6S,8S,9R,10S,13S)-13-cyclohexyl-12,15-dioxo-2,7,23-trioxa-11,14-diazatetracyclo[15.3.1.16,9.18,11]tricosa-1(21),17,19-trien-10-yl]carbonyl]amino)-2-oxohexanoyl]amino]acetyl)amino](phenyl)ethanoic acid
-
-
(2S,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-([7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
-
-
(2S,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-[[2-(3-fluorophenyl)-7-methoxy-8-methylquinazolin-4-yl]oxy]-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
-
-
(2S,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-[[2-(4-fluorophenyl)-7-methoxy-8-methylquinazolin-4-yl]oxy]-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
-
-
(2S,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-[[2-(4-fluorophenyl)-7-methoxyquinazolin-4-yl]oxy]-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
-
-
(2S,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-5-methyl-2-[[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]oxy]-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
-
-
(2S,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-5-methyl-4,14-dioxo-2-([2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxy)-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
-
-
(2S,3aR,11Z,12aS,13aR,15aR)-N-(cyclopropylsulfonyl)-2-[(7-methoxy-8-methyl-2-phenylquinazolin-4-yl)oxy]-4,15-dioxo-1,2,3,3a,4,5,6,7,8,9,10,12a,13,14,15,15a-hexadecahydro-13aH-cyclopenta[c]cyclopropa[g][1,6]diazacyclopentadecine-13a-carboxamide
-
-
(2S,3aR,11Z,12aS,13aR,15aR)-N-(cyclopropylsulfonyl)-2-[[2-(4-fluorophenyl)-7-methoxy-8-methylquinazolin-4-yl]oxy]-4,15-dioxo-1,2,3,3a,4,5,6,7,8,9,10,12a,13,14,15,15a-hexadecahydro-13aH-cyclopenta[c]cyclopropa[g][1,6]diazacyclopentadecine-13a-carboxamide
-
-
(2S,4S)-1-((S)-2-((R)-2-cyclohexyl-2-(prop-1-en-2-ylamino)acetamido)-3,3-dimethylbutanoyl)-N-((1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-vinylcyclopropyl)-4-phenylpyrrolidine-2-carboxamide
-
-
(2S,5S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-2-cyclohexyl-3,11,15-trioxo-1,4,10-triazacyclopentadecane-5-carboxamide
-
-
(2S,5S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-2-cyclohexyl-3,11,16-trioxo-1,4,10-triazacyclohexadecane-5-carboxamide
-
-
(2S,5S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-2-cyclohexyl-3,11,17-trioxo-1,4,10-triazacycloheptadecane-5-carboxamide
-
-
(2S,5S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-2-cyclohexyl-3,11,18-trioxo-1,4,10-triazacyclooctadecane-5-carboxamide
-
-
(2S,6S,12Z,13aS,14aR,16aS)-6-[[(cyclopentyloxy)carbonyl]amino]-2-[4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
-
-
(3R)-2-[2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl]-N-[1-(cyclobutylmethyl)-3-[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino]-2,3-dioxopropyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
-
comparison of binding affinity with human neutrophil elastase, selectivity of 420
(3R)-2-[2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylmethyl)-3-[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino]-2,3-dioxopropyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
-
comparison of binding affinity with human neutrophil elastase, selectivity of 35
(3R)-2-[[(tert-butylcarbamoyl)amino](cyclohexyl)acetyl]-N-[1-(cyclobutylmethyl)-3-[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino]-2,3-dioxopropyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
-
-
(3R)-2-[[(tert-butylcarbamoyl)amino](cyclohexyl)acetyl]-N-[1-(cyclopropylmethyl)-3-[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino]-2,3-dioxopropyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
-
-
(3R,12S,16R,17aS)-12-[(tert-butoxycarbonyl)amino]-16-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-1,13-dioxohexadecahydro-1H-pyrrolo[1,2-a][1,4]diazacyclopentadecine-3-carboxylic acid
-
-
(3S)-3-[(7R,9S,12R)-9-[(1-[[(2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)carbamoyl]-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-trien-12-yl]cyclohexanecarboxylic acid
-
-
(3S,12S,16R,17aS)-12-[(tert-butoxycarbonyl)amino]-16-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-1,13-dioxohexadecahydro-1H-pyrrolo[1,2-a][1,4]diazacyclopentadecine-3-carboxylic acid
-
-
(3S,18S)-18-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-16,19-dioxo-3,4-dihydro-1H-7,2-(epoxyheptanoiminoethano)isoquinoline-3-carboxamide
-
-
(3S,6S)-6-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5,8-dioxo-4,7-diazabicyclo[14.3.1]icosa-1(20),16,18-triene-3-carboxamide
-
-
(4-acetylphenoxy)acetic acid
-
-
(4-aminophenyl)(2-aminopyridin-3-yl)methanone
-
-
(4-aminophenyl)(phenyl)methanone
-
-
(4-methoxyphenyl)(1H-pyrrol-2-yl)methanone
-
-
(4R)-4-[[(2S)-2-(acetylamino)-3-carboxypropanoyl]amino]-5-[(1-[[(1R)-1-([(2S,4R)-4-(benzyloxy)-2-[(2-[[(1S)-1-phenylethyl]carbamoyl]-2-propylhydrazino)carbonyl]pyrrolidin-1-yl]carbonyl)-2-methylpropyl]carbamoyl]-2-methylbutyl)amino]-5-oxopentanoic acid
-
noncovalent binding to enzyme active site, 50% inhibition at 0.000078 mM
(4R,6S,7Z,15S,17S)-17-[((7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl)oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0-4,6-]heptadec-7-ene-4-carboxamide
-
compound displays high mean clearance of 150 micro per minand mg protein in rat, cynomolgus monkey and human liver microsomes, along with a short half life of less than 10 min
(4R,6S,7Z,15S,17S)-17-[((8-chloro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl)oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0-4,6-]heptadec-7-ene-4-carboxamide
-
-
(4R,6S,9S,16E)-9-tert-butyl-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-vinylcyclopropyl)-2,8,11-trioxo-3,12-dioxa-1,7,10-triazatetracyclo[16.6.2.14,7.022,26]heptacosa-16,18(26),19,21-tetraene-6-carboxamide
-
-
(4R,6S,9S,16E)-9-tert-butyl-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-vinylcyclopropyl)-2,8,11-trioxo-3,12-dioxa-1,7,10-triazatetracyclo[20.3.1.14,7.018,23]heptacosa-16,18,20,22-tetraene-6-carboxamide
-
-
(4S,7S,9R)-4-tert-butyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-2,5-dioxo-10,15-dioxa-3,6-diazatricyclo[14.3.1.16,9]henicosa-1(20),16,18-triene-7-carboxamide
-
-
(5R,7S,10S)-10-cyclopentyl-N-[(1S)-1-[(cyclopropylamino)(oxo)acetyl]butyl]-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
-
(5R,7S,10S)-10-tert-butyl-3,9,12-trioxo-N-[(1S)-1-[oxo(prop-2-en-1-ylamino)acetyl]butyl]-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
-
(5R,7S,10S)-10-tert-butyl-3,9,12-trioxo-N-[(1S)-1-[oxo[(1-phenylethyl)amino]acetyl]butyl]-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
-
(5R,7S,10S)-10-tert-butyl-3,9,12-trioxo-N-[(1S)-1-[oxo[(pyridin-2-ylmethyl)amino]acetyl]butyl]-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
-
(5R,7S,10S)-10-tert-butyl-N-[(1S)-1-[(cyclobutylamino)(oxo)acetyl]butyl]-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
-
(5R,7S,10S)-10-tert-butyl-N-[(1S)-1-[(cyclopentylamino)(oxo)acetyl]butyl]-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
-
(5R,7S,10S)-10-tert-butyl-N-[(1S)-1-[(cyclopropylamino)(oxo)acetyl]butyl]-3,9,12-trioxo-1,6,7,9,10,11,12,14,15,16,17,18-dodecahydro-5H-2,22:5,8-dimethano-4,13,2,8,11-benzodioxatriazacycloicosine-7(3H)-carboxamide
-
-
(5R,7S,10S)-10-tert-butyl-N-[(1S)-1-[(cyclopropylamino)(oxo)acetyl]butyl]-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
-
(5R,7S,10S)-10-tert-butyl-N-[(1S)-1-[[(1-methylpropyl)amino](oxo)acetyl]butyl]-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
-
(5R,7S,10S)-N-[(1S)-1-[(benzylamino)(oxo)acetyl]butyl]-10-tert-butyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
-
(5R,8S,10R)-5-cyclohexyl-N-(1-[[(2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-2-methyl-3,6-dioxo-11,15-dioxa-2,4,7-triazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-8-carboxamide
-
-
(5R,8S,10R)-5-cyclohexyl-N-(1-[[(2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-3,6-dioxo-11,15-dioxa-2,4,7-triazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-8-carboxamide
-
-
(5R,8S,10R)-5-tert-butyl-N-(1-[[(2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-3,6-dioxo-2,11,15-trioxa-4,7-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-8-carboxamide
-
-
(5S,8S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5-cyclohexyl-3,6,14-trioxo-4,7,13-triazabicyclo[14.2.2]icosa-1(18),16,19-triene-8-carboxamide
-
-
(5S,8S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5-cyclohexyl-3,6,14-trioxo-4,7,13-triazabicyclo[14.3.1]icosa-1(20),16,18-triene-8-carboxamide
-
-
(5S,8S,10R)-5-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-3,6-dioxo-11,16-dioxa-4,7-diazatricyclo[15.3.1.17,10]docosa-1(21),17,19-triene-8-carboxamide
-
-
(6R,8S,11R)-11-cyclohexyl-N-(1-[[(2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[14.3.1.16,9]henicosa-1(20),16,18-triene-8-carboxamide
-
-
(6R,8S,11S)-11-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[13.3.1.16,9]icosa-1(19),15,17-triene-8-carboxamide
-
-
(6R,8S,11S,18E)-11-tert-butyl-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-vinylcyclopropyl)-3-methyl-4,10,13-trioxo-5,14-dioxa-3,9,12-triazatricyclo[18.3.1.16,9]pentacosa-1(24),18,20,22-tetraene-8-carboxamide
-
-
(6S,11S,20S)-11-tert-butyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[13.3.1.16,9]icosa-1(19),15,17-triene-20-carboxamide
-
-
(6S,8S,9R,10S,13S)-13-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-12,15-dioxo-2,7,23-trioxa-11,14-diazatetracyclo[15.3.1.16,9.18,11]tricosa-1(21),17,19-triene-10-carboxamide
-
-
(7R,9S)-12-(2,3-dihydro-1H-inden-1-yl)-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
(7R,9S,12R)-12-cyclohexyl-N-(1-[[(2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
(7R,9S,12R)-12-cyclohexyl-N-(1-[[(2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-15-methyl-11,14-dioxo-2,6-dioxa-10,13,15-triazatricyclo[15.3.1.17,10]docosa-1(21),17,19-triene-9-carboxamide
-
-
(7R,9S,12R)-12-cyclohexyl-N-(1-[[(2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-18-methoxy-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
(7R,9S,12R)-12-cyclohexyl-N-(1-[[(2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-18-methyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
(7R,9S,12R)-12-cyclohexyl-N-(1-[[(2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-19-methyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
(7R,9S,12S)-12-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
(7R,9S,12S)-12-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11,14-dioxo-2-oxa-6-thia-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
(7R,9S,12S)-12-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11,14-dioxo-6-(phenylsulfonyl)-2-oxa-6,10,13-triazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
(7R,9S,12S)-12-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
(7R,9S,12S)-12-cyclohexyl-N-(1-[[(2-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
(7R,9S,12S)-12-cyclohexyl-N-[(1S)-1-[[(2-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl]-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
(7R,9S,12S)-12-cyclohexyl-N-[(1S)-1-[[[4-(dimethylamino)-2,4-dioxo-3-phenylbutyl]amino](oxo)acetyl]butyl]-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
50% inhibition at 400 nM
(7R,9S,12S)-12-tert-butyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
(7R,9S,12S)-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5,5-dimethyl-12-(1-methylethyl)-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
(7R,9S,12S)-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5,5-dimethyl-12-(2-methylpropyl)-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
(7R,9S,12S)-N-(1-[[(2-[[(S)-cyano(phenyl)methyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-12-cyclohexyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
(7S,12S,21S)-12-tert-butyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-21-carboxamide
-
-
(R)-((1R,2S)-1-((2S,4R)-1-((S)-2-(((cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoyl)-4-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)pyrrolidine-2-carboxamido)-2-vinylcyclopropyl)(4-methoxybenzyl)phosphinic acid
-
-
(R)-((1R,2S)-1-((2S,4R)-1-((S)-2-(((cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoyl)-4-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)pyrrolidine-2-carboxamido)-2-vinylcyclopropyl)(isopropyl)phosphinic acid
-
-
(R)-((1S,2S)-1-((2S,4R)-1-((S)-2-(((cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoyl)-4-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)pyrrolidine-2-carboxamido)-2-vinylcyclopropyl)(phenyl)phosphinic acid
-
-
(R)-(4-chlorobenzyl)((1R,2S)-1-((2S,4R)-1-((S)-2-(((cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoyl)-4-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)pyrrolidine-2-carboxamido)-2-vinylcyclopropyl)phosphinic acid
-
-
(R)-4-((S)-2-acetamido-3-carboxypropanamido)-5-((2S,3S)-1-((S)-1-((2S,4R)-4-(benzyloxy)-2-(2-butyl-2-((S)-1-phenylethylcarbamoyl)hydrazinecarbonyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-ylamino)-3-methyl-1-oxopentan-2-ylamino)-5-oxopentanoic acid
-
-
-
(R)-benzyl((1R,2S)-1-((2S,4R)-1-((S)-2-(((cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoyl)-4-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)pyrrolidine-2-carboxamido)-2-vinylcyclopropyl)phosphinic acid
-
-
(R)-butyl((1R,2S)-1-((2S,4R)-1-((S)-2-(((cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoyl)-4-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)pyrrolidine-2-carboxamido)-2-vinylcyclopropyl)phosphinic acid
-
-
(S)-((2R,6R,13aS,14S,16aS)-6-(((cyclopentyloxy)carbonyl)amino)-2-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-14-yl)(2-methoxybenzyl)phosphinic acid
-
-
(S)-((2R,6R,13aS,14S,16aS,Z)-6-(((cyclopentyloxy)carbonyl)amino)-2-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-14-yl)(2-methoxybenzyl)phosphinic acid
-
-
(S)-(2-chlorobenzyl)((2R,6R,13aS,14S,16aS)-6-(((cyclopentyloxy)carbonyl)amino)-2-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-14-yl)phosphinic acid
-
-
(S)-(2-chlorobenzyl)((2R,6R,13aS,14S,16aS,Z)-6-(((cyclopentyloxy)carbonyl)amino)-2-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-14-yl)phosphinic acid
-
-
(S)-2-[[(1R,2R,4S)-2-[(R)-1-[((R)-cyclohexylmethoxycarbonyl-methyl)-carbamoyl]-2-methyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopentanecarbonyl]-amino]-butyric acid
-
21% inhibition at a concentration of 10 micromol
(S)-2-[[(1R,2R,4S)-2-[(R)-1-[((S)-cyclohexyl-methoxycarbonyl-methyl)-carbamoyl]-2-methyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopentanecarbonyl]-amino]-pentanoic acid
-
35% inhibition at a concentration of 10 micromol
(S)-2-[[(1R,2R,4S)-2-[(S)-1-[((R)-cyclohexyl-methoxycarbonyl-methyl)-carbamoyl]-2-methyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopentanecarbonyl]-amino]-pentanoic acid
-
37% inhibition at a concentration of 10 micromol
(S)-2-[[(1R,2R,4S)-2-[(S)-1-[((S)-cyclohexyl-methoxycarbonyl-methyl)-carbamoyl]-2,2-dimethyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopentanecarbonyl]-amino]-pentanoic acid
-
-
(S)-2-[[(1R,2R,4S)-2-[(S)-1-[((S)-cyclohexyl-methoxycarbonyl-methyl)-carbamoyl]-2-methyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopentanecarbonyl]-amino]-butyric acid
-
65% inhibition at a concentration of 10 micromol
(S)-2-[[(1R,2R,4S)-2-[(S)-1-[((S)-cyclohexyl-methoxycarbonyl-methyl)-carbamoyl]-2-methyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopentanecarbonyl]-amino]-pentanoic acid
-
100% inhibition at a concentration of 10 micromol
(S)-2-[[(1R,2R,4S)-2-[(S)-1-[((S)-cyclohexyl-methylcarbamoyl-methyl)-carbamoyl]-2,2-dimethyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopentanecarbonyl]-amino]-pentanoic acid
-
-
(S)-2-[[(1R,2R,4S)-2-[(S)-1-[((S)-cyclohexyl-methylcarbamoyl-methyl)-carbamoyl]-2-methyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopentanecarbonyl]-amino]-pentanoic acid
-
-
(S)-2-[[(1R,2R,4S)-2-[(S)-1-[((S)-cyclohexylmethylcarbamoyl-methyl)-carbamoyl]-2,2-dimethyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopentanecarbonyl]-amino]-4,4-difluoro-butyric acid
-
-
(S)-2-[[(1R,4R)-2-[(R)-1-[((S)-cyclohexyl-methoxycarbonyl-methyl)-carbamoyl]-2,2-dimethyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopent-2-enecarbonyl]-amino]-pentanoic acid
-
-
(S)-2-[[(1S,4S)-2-[(R)-1-[((S)-cyclohexyl-methoxycarbonylmethyl)-carbamoyl]-2,2-dimethyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopent-2-enecarbonyl]-amino]-pentanoic acid
-
-
(S)-benzyl((2R,6R,13aS,14S,16aS)-6-(((cyclopentyloxy)carbonyl)amino)-2-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-14-yl)phosphinic acid
-
-
(S)-benzyl((2R,6R,13aS,14S,16aS,Z)-6-(((cyclopentyloxy)carbonyl)amino)-2-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-14-yl)phosphinic acid
-
-
(Z)-(1R,4R,6S,14R,16R)-12-tert-butoxycarbonylamino-16-(7-methoxy-2-phenyl-quinolin-4-yloxy)-2,13-dioxo-3,12-diaza-tricyclo[12.3.0. 04, 6]heptadec-7-ene-4-carboxylic acid
-
-
(Z)-(1R,4R,6S,15R,17R)-13-amino-17-(7-methoxy-2-phenyl-quinolin-4-yloxy)-2,14-dioxo-3,13-diaza-tricyclo[13.3.0.04,6]octadec-7-ene-4-carboxylic acid
-
-
(Z)-(1R,4R,6S,15R,17R)-13-tert-butoxycarbonylamino-17-(7-methoxy-2-phenyl-quinolin-4-yloxy)-2,14-dioxo-3,13-diaza-tricyclo[13.3.0.04,6]octadec-7-ene-4-carboxylic acid
-
-
(Z)-(1R,4R,6S,15R,17R)-17-(7-methoxy-2-phenyl-quinolin-4-yloxy)-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxylic acid
-
-
(Z)-(1R,4R,6S,15R,17S)-17-(7-methoxy-2-phenyl-quinolin-4-yloxy)-2,14-dioxo-3,13-diaza-tricyclo-[13.3.0.04,6]octadec-7-ene-4-carboxylic acid
-
-
(Z)-(1R,4R,6S,16R,18R)-14-amino-18-(7-methoxy-2-phenyl-quinolin-4-yloxy)-2,15-dioxo-3,14-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
-
-
(Z)-(1R,4R,6S,16R,18R)-14-tert-butoxycarbonylamino-18-(7-methoxy-2-phenyl-quinolin-4-yloxy)-2,15-dioxo-3,14-diaza-tricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
-
-
(Z)-(1R,4R,6S,17R) and (1S,4R,6S,17S)-13-amino-17-(7-methoxy-2-phenyl-quinolin-4-yloxy)-2,14-dioxo-3,13-diaza-tricyclo[13.3.0.04,6]octadeca-7,15-diene-4-carboxylic acid
-
-
(Z)-(1R,4R,6S,17R,19R)-15-amino-19-(7-methoxy-2-phenyl-quinolin-4-yloxy)-2,16-dioxo-3,15-diaza-tricyclo[15.3.0.04,6]icos-7-ene-4-carboxylic acid
-
-
(Z)-(1R,4R,6S,17R,19R)-15-tert-butoxycarbonylamino-19-(7-methoxy-2-phenyl-quinolin-4-yloxy)-2,16-dioxo-3,15-diaza-tricyclo[15.3.0.04,6]icos-7-ene-4-carboxylic acid
-
-
(Z)-(1R,4R,6S,18R) and (1S,4R,6S,18S)-14-amino-18-(7-methoxy-2-phenyl-quinolin-4-yloxy)-2,15-dioxo-3,14-diaza-tricyclo[14.3.0.04,6]nonadeca-7,16-diene-4-carboxylic acid
-
-
1,1-dimethylethyl [1-cyclohexyl-2-[(1S,5R)-6,6-dichloro-2(S)-[[[1-[1,2-dioxo-2-(2-propenylamino) ethyl]butyl]-amino]carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate
-
-
1,1-dimethylethyl [2-[(1S,5R)-2(S)-[[[1-(2-amino-1,2-dioxoethyl)butyl]amino]carbonyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1(S)-cyclohexyl-2-oxoethyl]-carbamate
-
-
1,1-dimethylethyl[1-cyclohexyl-2-[(1S,5R)-6,6-dichloro-2(S)-[[[1-[2-[[2-[[2-(dimethylamino)-2-oxo-1(S)-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoethyl]-butyl]amino]carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate
-
-
1,1-dimethylethyl[2-[(1S,5R)-6,6-dichloro-2(S)-[[ [1-(cyclopropyl-methyl)-3-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-2,3-dioxopropyl]-amino]carbonyl]-3-azabicyclo[3.1.0]-hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate
-
-
1,1-dimethylethyl[2-[(1S,5R)-6,6-dichloro-2(S)-[[1-(cyclobutylmethyl)-3-[[2-[[2-(dimethylamino)-2-oxo-1(S)-phenylethyl]amino]-2-oxomethyl]amino]-2,3-dioxopropylamino]carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]-1(S)-cyclohexyl-2-oxomethyl]carbamate
-
-
1,10-phenanthroline
inhibits NS2/3 auto-cleavage and NS3 protease activity
1,10-phenanthroline
-
0.26 mM, 50% inhibition
1,2,3,4-tetrahydroacridin-9-amine
-
inhibitor binding to Zn2+-free enzyme, dissociation constant 0.0017 mM, EC50 value 0.060 mM
1,3,4-tri-O-galloyl-beta-D-glucose
-
from Saxifraga melanocentra
1,3,6-tri-O-galloyl-beta-D-glucose
-
from Terminalia chebula
1-(4-aminophenyl)-2-phenylethane-1,2-dione
-
-
1-([1-[(1,2-diphenylhydrazino)carbonyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-D-prolyl]amino)-2-ethenylcyclopropanecarboxylic acid
-
-
1-([1-[2-(2-acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-benzyloxy-pyrrolidine-2-carbonyl]-amino)-2-vinyl-cyclopropanecarboxylic acid
-
IC50: 0.0097 mM
1-([1-[2-(2-acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-benzyloxy-pyrrolidine-2-carbonyl]-amino)-cyclopropanecarboxylic acid
-
IC50: 0.33 mM
1-([1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-hydroxy-pyrrolidine-2-carbonyl]-amino)-cyclopropanecarboxylic acid
-
IC50: above 1 mM
1-([1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-phenoxy-pyrrolidine-2-carbonyl]-amino)-cyclopropanecarboxylic acid
-
IC50: above 0.08 mM
1-([4-(3'-Acetylamino-biphenyl-3-yloxy)-1-[2-(2-acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-pyrrolidine-2-carbonyl]-amino)-cyclopropanecarboxylic acid
-
IC50: 0.006 mM
1-aminocyclopropane-1-carboxylic acid ketoacid
-
electrophilic and acidic compound
1-aminocyclopropane-1-carboxylic acid ketotetrazole
-
electrophilic and acidic compound
1-aminocyclopropane-1-carboxylic acid pentafluoroethyl ketone
-
electrophilic and non-acidic compound
1-aminocyclopropanecarboxylic acid
-
non-electrophilic and acidic compound
1-benzofuran-2-carboxylic acid
-
-
1-benzothiophene-2-carboxylic acid
-
-
1-methyl-1H-indole-2-carboxylic acid
-
-
1-O-(3-O-galloylgalloyl)-2,3,4-tri-O-galloyl-beta-D-glucose
-
from Saxifraga melanocentra
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(2-bromo-phenoxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: 0.025 mM
1-[[1-[2-(2-acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino]-2-vinyl-cyclopropanecarboxylic acid
-
-
1-[[1-[2-(2-acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
-
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(2-thiophen-3-yl-pyridin-3-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: above 0.2 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(3'-nitro-biphenyl-3-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: 0.006 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(3-bromo-phenoxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: 0.05 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(3-morpholin-4-yl-phenoxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: 0.032 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(4'-methoxy-biphenyl-2-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: above 0.2 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(4'-methoxy-biphenyl-4-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: 0.035 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(4-bromo-phenoxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: 0.025 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(4-bromo-phenylsulfanyl)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: 0.04 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(4-chloro-phenoxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: 0.05 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(4-fluoro-phenoxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: 0.1 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(4-iodo-phenoxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: 0.01 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(5-chloro-quinolin-8-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: 0.1 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(6-methoxy-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: 0.016 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(7-chloro-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: 0.002 mM
1-[[1-[2-(2-acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(7-methoxy-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino]-2-vinyl-cyclopropanecarboxylic acid
-
-
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(7-methoxy-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
-
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(7-methoxy-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: 0.0008 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(7-trifluoromethyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: 0.006 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(7-trifluoromethyl-quinolin-4-ylsulfanyl)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: 0.009 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(benzothiazol-2-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: 0.02 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(benzothiazol-2-ylsulfanyl)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: 0.02 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(biphenyl-2-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: above 0.2 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(biphenyl-3-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: 0.006 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(biphenyl-4-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: 0.035 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(isoquinolin-1-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: 0.008 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(isoquinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: 0.004 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(naphthalen-1-ylmethoxy)-pyrrolidine-2-carbonyl]-amino]-2,2-diethyl-cyclopropanecarboxylic acid
-
IC50: 0.31 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(naphthalen-1-ylmethoxy)-pyrrolidine-2-carbonyl]-amino]-2-ethyl-cyclopropanecarboxylic acid
-
IC50: 0.0048 mM
1-[[1-[2-(2-acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(naphthalen-1-ylmethoxy)-pyrrolidine-2-carbonyl]-amino]-2-vinyl-cyclopropanecarboxylic acid
-
IC50: 0.00063 mM
1-[[1-[2-(2-acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(naphthalen-1-ylmethoxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: 0.014 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(pyridin-3-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: 0.19 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(pyridin-4-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: 0.17 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: 0.005 mM
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(quinolin-8-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
-
IC50: 0.25 mM
12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo(14.3.1.17,10)henicosa-1(19),16(20),17-triene-9-carboxylic acid ((((1-(dimethylcarbamoylphenylmethyl)carbamoyl)-methyl)aminooxalyl)butyl)amide
-
50% inhibition at 130 nM
12-tert-butyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo(14.3.1.17,10)henicosa-1(19),16(20),17-triene-9-carboxylic acid ((((1-(dimethylcarbamoylphenylmethyl)carbamoyl)methyl)aminooxalyl)butyl)amide
-
50% inhibition at 700 nM
12-tert-butyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo(14.3.1.17,10)henicosa-1(19),16(20),17-triene-9-carboxylic acid ((((1-(dimethylcarbamoylphenylmethyl)carbamoyl)methyl)-aminooxalyl)butyl)amide
-
50% inhibition at 200 nM
1H-indole-2-carboxylic acid
-
-
2'-[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-5-(1-carboxy-cyclopropylcarbamoyl)-pyrrolidin-3-yloxy]-biphenyl-4-carboxylic acid
-
IC50: above 0.2 mM
2,2,2-trifluoro-1,1-dimethylethyl[2-[(1S,5R)-2(S)-[[[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]amino]-carbonyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1(S)-cyclohexyl-2-oxoethyl]carbamate
-
-
2,2-Dihydroxy-indan-1,3-dione
-
-
2-(2-[2-[2-(4-Carboxy-2-isobutoxycarbonylamino-butyrylamino)-4-methyl-pentanoylamino]-3-mercapto-propionylamino]-ethyl)-benzoic acid
-
IC50: above 0.1 mM
2-(2-[2-[2-(4-Carboxy-2-isobutoxycarbonylamino-butyrylamino)-4-methyl-pentanoylamino]-3-mercapto-propionylamino]-ethyl)-benzoic acid methyl ester
-
IC50: 0.054 mM
2-(3-chlorobenzoyl)benzoic acid
-
-
2-(4-Butyl-phenyl)-2-phenylsulfanyl-indan-1,3-dione
-
IC50: 0.0017 mM
2-(4-carboxybenzoyl)benzoic acid
-
-
2-(4-chlorobenzoyl)-6-(methoxycarbonyl)benzoic acid
-
-
2-(4-chlorobenzoyl)-6-[(dimethylamino)carbonyl]benzoic acid
-
-
2-(4-chlorobenzoyl)benzoic acid
-
-
2-(4-chlorobenzyl)benzoic acid
-
-
2-(4-chlorophenoxy)benzoic acid
-
-
2-(4-fluorobenzoyl)benzoic acid
-
-
2-(4-fluorophenoxy)benzoic acid
-
-
2-(4-hydroxybenzoyl)-4-methylbenzoic acid
-
-
2-(4-hydroxybenzoyl)benzoic acid
-
-
2-(4-hydroxybenzyl)benzoic acid
-
-
2-(4-methoxybenzoyl)benzoic acid
-
-
2-(4-methylbenzoyl)benzoic acid
-
-
2-(4-[3-[1-Carboxy-2-(4-hydroxy-3,5-diiodo-phenyl)-ethylcarbamoyloxy]-propoxy]-benzoyl)-benzoic acid
-
; competitive
2-(4-[3-[1-tert-Butoxycarbonyl-2-(4-hydroxy-3,5-diiodo-phenyl)-ethylcarbamoyloxy]-propoxy]-benzoyl)-benzoic acid tert-butyl ester
-
; competitive
2-(carboxymethyl)-6-(4-chlorobenzoyl)benzoic acid
-
-
2-([1-[2-(2-acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-benzyloxy-pyrrolidine-2-carbonyl]-amino)-pentanoic acid
-
IC50: 0.53 MM
2-([1-[2-(2-acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-benzyloxy-pyrrolidine-2-carbony]}-amino)-3-mercapto-propionic acid
-
IC50: 0.14 mM
2-Chloro-6-(4-chloro-benzoyl)-benzoic acid
-
-
2-Hydroxy-2-(1-nitro-ethyl)-indan-1,3-dione
-
-
2-Hydroxy-2-(2-nitro-cyclopentyl)-indan-1,3-dione
-
-
2-Methyl-2-phenylsulfanyl-indan-1,3-dione
-
IC50: 0.0036 mM
2-O-(4-O-galloylgalloyl)-1,3,4-tri-O-galloyl-beta-D-glucose
-
from Rhodiola kirilowii
2-Phenyl-2-phenylsulfanyl-indan-1,3-dione
-
IC50: 0.012 mM
2-Phenylsulfanyl-2-p-tolyl-indan-1,3-dione
-
IC50: 0.0031 mM
2-[1-[1-(1-Carbamoyl-3-methyl-butylcarbamoyl)-2-carboxy-ethylcarbamoyl]-2-cyclohexyl-ethylcarbamoyl]-cyclohexanecarboxylic acid
-
IC50: 0.015 mM, wild-type enzyme, IC50: 0.017 mM, mutant enzyme K136R, IC50: 0.027 mM, mutant enzyme K136M, IC50: 0.05 mM, mutant enzyme K136S, IC50: above 0.3 mM, mutant enzyme R109Q
2-[1-[2-Carboxy-1-(1-ethylcarbamoyl-3-methyl-butylcarbamoyl)-ethylcarbamoyl]-2-cyclohexyl-ethylcarbamoyl]-cyclohexanecarboxylic acid
-
IC50: 0.032 mM
2-[4-(3-carboxypropyl)benzoyl]benzoic acid
-
-
2-[4-(trifluoromethyl)benzoyl]benzoic acid
-
-
3,3'-digalloylprocyanidin B2
-
-
3,3'-digalloylproprodelphinidin B2
-
rhodisin
3,4-dichloroisocoumarin
-
0.03 mM, 50% inhibition
3,6-di-O-galloyl-beta-D-glucose
-
from Saxifraga melanocentra
3-(2-[2-[2-(4-carboxy-2-isobutoxycarbonylamino-butyrylamino)-4-methyl-pentanoylamino]-3-mercapto-propionylamino]-ethyl)-benzoic acid
-
IC50: 0.0092 mM
3-(2-[2-[2-(4-Carboxy-2-isobutoxycarbonylamino-butyrylamino)-4-methyl-pentanoylamino]-3-mercapto-propionylamino]-ethyl)-benzoic acid methyl ester
-
IC50: 0.025 mM
3-(4-acetylphenoxy)propanoic acid
-
-
3-(4-hydroxy-3,5-diiodophenyl)-2-phenylpropanoic acid
-
-
3-(4-hydroxy-3,5-diiodophenyl)-3-phenylpropanoic acid
-
-
3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
-
-
3-cyclohexyl-2,5-dioxo-12-oxa-1,4-diazatricyclo(11.5.3.016,20)-henicosa-13(21),14,16(20)-triene-18-carboxylic acid ((((1-(dimethylcarbamoylphenylmethyl)carbamoyl)methyl)aminooxalyl)butyl)amide
-
inhibitor adopts a donutlike conformation and has close contact to A156 methyl group of enzyme
3-[(2R,5S,8S)-8-[(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)carbamoyl]-5-cyclohexyl-3,6,14,18-tetraoxo-1,4,7,13-tetraazacyclooctadecan-2-yl]propanoic acid
-
-
3-[(3S,6R,17S)-17-[(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)carbamoyl]-3-cyclohexyl-2,5,8,11-tetraoxo-1,4,7,12-tetraazacycloheptadecan-6-yl]propanoic acid
-
-
3-[2-(2-Benzyloxycarbonylamino-3-methyl-pentanoylamino)-4-methyl-pentanoylamino]-5,5-difluoro-2-oxo-pentanoic acid
-
-
3-[2-(2-tert-Butoxycarbonylamino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-5,5-difluoro-2-oxo-pentanoic acid
-
-
3-[2-(2-[2-[2-(2-Acetylamino-3-carboxy-propionylamino)-4-carboxy-butyrylamino]-3,3-diphenyl-propionylamino]-4-carboxy-butyrylamino)-3-cyclohexyl-propionylamino]-5,5-difluoro-2-oxo-pentanoic acid
-
-
3-[2-(3-tert-butyl-ureido)-2-indan-2-yl-acetyl]-6,6-dichloro-3-aza-bicyclo[3.1.0]hexane-2-carboxylic acid(2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethyl)-amide
-
-
3-[2-(3-tert-butyl-ureido)-3,3-dimethyl-butyryl]-6,6-dichloro-3-aza-bicyclo[3.1.0]hexane-2-carboxylic acid(2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethyl)-amide
-
-
3-[2-[2-(2-Acetylamino-3,3-diphenyl-propionylamino)-4-tert-butoxycarbonyl-butyrylamino]-3-cyclohexyl-propionylamino]-5,5-difluoro-2-oxo-pentanoic acid
-
-
4-(2-aminoethyl)-benzenesulfonyl fluoride
-
0.45 mM, 50% inhibition
4-(2-[2-[2-(2-tert-Butoxycarbonylamino-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-4,4-difluoro-but-2-enoylamino]-ethyl)-3-chloro-benzoic acid
-
highly specific
4-(2-[2-[2-(2-tert-Butoxycarbonylamino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-4,4-difluoro-but-2-enoylamino]-ethyl)-3-chloro-benzoic acid
-
reversible competitive inhibitor, highly specific
4-(2-[2-[2-(4-carboxy-2-isobutoxycarbonylamino-butyrylamino)-4-methyl-pentanoylamino]-3-mercapto-propionylamino]-ethyl)-3-chloro-benzoic acid
-
IC50: 0.0007 mM
4-(2-[2-[2-(4-Carboxy-2-isobutoxycarbonylamino-butyrylamino)-4-methyl-pentanoylamino]-3-mercapto-propionylamino]-ethyl)-3-chloro-benzoic acid methyl ester
-
IC50: 0.0032 mM
4-(2-[2-[2-(4-carboxy-2-isobutoxycarbonylamino-butyrylamino)-4-methyl-pentanoylamino]-3-mercapto-propionylamino]-ethyl)-benzoic acid
-
IC50: 0.002 mM
4-(2-[2-[2-(4-Carboxy-2-isobutoxycarbonylamino-butyrylamino)-4-methyl-pentanoylamino]-3-mercapto-propionylamino]-ethyl)-benzoic acid methyl ester
-
IC50: 0.017 mM
4-(4-hydroxy-3,5-diiodophenyl)butanoic acid
-
-
4-(amidinophenyl)-methanesulfonyl fluoride
-
1.89 mM, 50% inhibition
4-(trifluoroacetyl)benzoic acid
-
-
4-Benzyloxycarbonylamino-4-[1-(2-mercapto-1-phenethylcarbamoyl-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-butyric acid
-
IC50: 0.04 mM
4-chloro-1H-indole-2-carboxylic acid
-
-
4-hydroxy-2-(4-hydroxybenzoyl)benzoic acid
-
-
4-hydroxy-3,5-diiodobenzoic acid
-
-
4-Isobutoxycarbonylamino-4-[1-(2-mercapto-1-phenethylcarbamoyl-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-butyric acid
-
IC50: 0.019 mM
4-methoxy-2-(4-methoxybenzoyl)benzoic acid
-
-
4-tert-Butoxycarbonylamino-4-(1-[1-[2-(2-chloro-phenyl)-ethylcarbamoyl]-2-mercapto-ethylcarbamoyl]-3-methyl-butylcarbamoyl)-butyric acid
-
IC50: 0.0065 mM
4-tert-Butoxycarbonylamino-4-(1-[1-[2-(2-chloro-phenyl)-ethylcarbamoyl]-3,3-difluoro-propenylcarbamoyl]-3-methyl-butylcarbamoyl)-butyric acid
-
-
4-tert-Butoxycarbonylamino-4-[1-(1-carboxy-2-mercapto-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-butyric acid
-
IC50: above 0.2 mM
4-tert-Butoxycarbonylamino-4-[1-(2-mercapto-1-phenethylcarbamoyl-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-butyric acid
-
IC50: 0.027 mM
4-[(7R,9S,12R)-9-[(1-[[(2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)carbamoyl]-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-trien-12-yl]cyclohexanecarboxylic acid
-
-
4-[1-(1-Benzylcarbamoyl-2-mercapto-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-4-tert-butoxycarbonylamino-butyric acid
-
IC50: above 0.2 mM
4-[2-[2-(2-Acetylamino-3-carboxy-propionylamino)-4-carboxy-butyrylamino]-3,3-diphenyl-propionylamino]-4-(1-[1-[2-(2-chloro-phenyl)-ethylcarbamoyl]-2-mercapto-ethylcarbamoyl]-2-cyclohexyl-ethylcarbamoyl)-butyric acid
-
IC50: 2 nM
4-[2-[2-(2-Acetylamino-3-carboxy-propionylamino)-4-carboxy-butyrylamino]-3,3-diphenyl-propionylamino]-4-[1-(1-benzylcarbamoyl-2-mercapto-ethylcarbamoyl)-2-cyclohexyl-ethylcarbamoyl]-butyric acid
-
IC50: 250 nM
4-[2-[2-(2-Acetylamino-3-carboxy-propionylamino)-4-carboxy-butyrylamino]-3,3-diphenyl-propionylamino]-4-[2-cyclohexyl-1-(2-mercapto-1-phenethylcarbamoyl-ethylcarbamoyl)-ethylcarbamoyl]-butyric acid
-
IC50: 7 nM
4-[2-[2-(2-Acetylamino-3-carboxy-propionylamino)-4-carboxy-butyrylamino]-3,3-diphenyl-propionylamino]-4-[2-cyclohexyl-1-[1-(2-cyclohexyl-ethylcarbamoyl)-2-mercapto-ethylcarbamoyl]-ethylcarbamoyl]-butyric acid
-
IC50: 1540 nM
4-[2-[2-(2-Acetylamino-3-carboxy-propionylamino)-4-carboxy-butyrylamino]-3,3-diphenyl-propionylamino]-4-[2-cyclohexyl-1-[1-(indan-2-ylcarbamoyl)-2-mercapto-ethylcarbamoyl]-ethylcarbamoyl]-butyric acid
-
IC50: 1700 nM
4-[2-[2-(2-Acetylamino-3-carboxy-propionylamino)-4-carboxy-butyrylamino]-3,3-diphenyl-propionylamino]-4-[2-cyclohexyl-1-[2-mercapto-1-(2-phenyl-cyclopropylcarbamoyl)-ethylcarbamoyl]-ethylcarbamoyl]-butyric acid
-
IC50: 1500 nM
4-[2-[2-(2-Acetylamino-3-carboxy-propionylamino)-4-carboxy-butyrylamino]-3,3-diphenyl-propionylamino]-4-[2-cyclohexyl-1-[2-mercapto-1-(3-phenyl-propylcarbamoyl)-ethylcarbamoyl]-ethylcarbamoyl]-butyric acid
-
IC50: 210 nM
4-[2-[2-(2-Acetylamino-3-carboxy-propionylamino)-4-carboxy-butyrylamino]-3,3-diphenyl-propionylamino]-4-[2-cyclohexyl-1-[2-mercapto-1-(methyl-phenethyl-carbamoyl)-ethylcarbamoyl]-ethylcarbamoyl]-butyric acid
-
IC50: 0.07 mM
4MeBu-P-norvaline-(CO)-GMSYS-NH2
-
CVS4440
-
5-bromo-1H-indole-2-carboxylic acid
-
-
5-bromo-2-(4-hydroxybenzoyl)benzoic acid
-
-
5-chloro-1-benzofuran-2-carboxylic acid
-
-
5-chloro-1H-indole-2-carboxylic acid
-
-
5-cyclohexyl-3,6-dioxo-11,16-dioxa-4,7-diazatricyclo(15.3.1.17,10)-docosa-1(21),17,19-triene-8-carboxylic acid ((((1-(dimethylcarbamoylphenylmethyl)carbamoyl)methyl)aminooxalyl)butyl)amide
-
-
5-fluoro-1H-indole-2-carboxylic acid
-
-
5-methoxy-1-benzothiophene-2-carboxylic acid
-
-
5-methoxy-1H-indole-2-carboxylic acid
-
-
5-methyl-1H-indole-2-carboxylic acid
-
-
6,6-dichloro-3-[2-cyclohexyl-2-(3-cyclohexyl-ureido)-acetyl]-3-aza-bicyclo[3.1.0]hexane-2-carboxylic acid(2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethyl)-amide
-
-
6-chloro-1H-indole-2-carboxylic acid
-
-
7-bromo-1H-indole-2-carboxylic acid
-
-
7-chloro-1H-indole-2-carboxylic acid
-
-
Ac-Asp-Glu-Leu-Ile-Cha-Cys-OH
-
-
Ac-DdIVPC-OH
-
0.04 mM, 50% inhibition
-
Ac-DvIVPC-OH
-
0.0075 mM, 50% inhibition
-
Ac-FASGKR-arginylaldehyde
-
competitive, 50% inhibition at about 0.001 mM
acetyl-3,3-diphenylalanine-beta-cyclohexylalanine-Cys-OH
-
0.3 mM, 50% inhibition
-
acetyl-Asp-(D-Glu)-(allyloxycarbonyl-L-lysine)-(L-cyclohexylalanine)-Cys-OH
-
-
acetyl-Asp-(D-Glu)-Leu-Ile-L-cyclohexylalanine-Cys-OH
-
-
acetyl-Asp-(D-Glu)-Tyr-Ile-L-cyclohexylalanine-Cys-OH
-
-
acetyl-Asp-(D-glutamine)-Leu-Ile-L-cyclohexylalanine-Cys-OH
-
-
acetyl-Asp-(D-homoglutamate)-Leu-Ile-L-cyclohexylalanine-Cys-OH
-
-
acetyl-Asp-(D-homoleucine)-Leu-Ile-(L-cyclohexylalanine)-Cys-OH
-
-
acetyl-Asp-D-(gamma-carboxyglutamic acid)-Leu-Ile-(beta-cyclohexylalanine)-Cys
-
-
acetyl-Asp-D-Glu-Leu-Ile-(beta-cyclohexylalanine)-Cys-(Me)Ala-Ser-His-Leu-NH2
-
IC50: 0.0006 mM, inhibitor is cleaved by NS3/4A protease
acetyl-Asp-Glu-(3,3-diphenylalanine)-Glu-(beta-cyclohexylalanine)-Cys
-
-
acetyl-Asp-Glu-(3,3-diphenylalanine)-Ile-(beta-cyclohexylalanine)-Cys
-
-
acetyl-Asp-Glu-(3,3-diphenylalanine)-Ile-(beta-cyclohexylalanine)-Cys-(Me)Ala-Ser-His-Leu-NH2
-
IC50: 0.0034 mM, inhibitor is cleaved by NS3/4A protease
acetyl-Asp-Glu-(diaminopropionyl)-(N-beta-dansyl)-Glu-(beta-cyclohexylalanine)-Cys-OH
-
-
acetyl-Asp-Glu-3,3-diphenylalanine-Glu-beta-cyclohexylalanine-Cys-OH
-
0.00005 mM, 50% inhibition
acetyl-Asp-Glu-3,3-diphenylalanine-Ile-beta-cyclohexylalanine-OH
-
0.046 mM, 50% inhibition
acetyl-Asp-Glu-Leu-Glu-(beta-cyclohexylalanine)-Cys
-
-
acetyl-Asp-Glu-Leu-Glu-beta-cyclohexylalanine-Cys-OH
-
0.0026 mM, 50% inhibition
acetyl-Asp-Glu-Leu-Ile-beta-cyclohexylalanine-Cys-OH
-
0.00006 mM, 50% inhibition
acetyl-Asp-Glu-Met-Glu-beta-cyclohexylalanine-Cys-OH
-
0.00035 mM, 50% inhibition
acetyl-Asp-Glu-Met-Glu-Glu-Cys
-
-
acetyl-Asp-Glu-Met-Glu-Glu-Cys-OH
-
0.001 mM, 50% inhibition
acetyl-Asp-Glu-Val-Val-Pro-boroAlg-OH
-
the inhibitor binds in an antiparrallel manner to beta-strand E2 and interacts with the unprimed sites of the substrate binding pocket. In the NS3/NS4 inhibitor complex, the inhibitor behaves like a reaction intermediate analog. In the absence of the cofactor, inhibitor binding is an order of magnitude weaker
acetyl-DEMEEC-OH
-
-
acetyl-DYPSPC-OH
-
-
acetyl-ECTTPC-OH
-
-
acetyl-EDVVCC-OH
-
-
acetyl-EEVVP-norvaline-(CO)-GMSYS-NH2
-
CVS4437
-
acetyl-EEVVP-norvaline-(CO)-phenethylamide
-
CVS4442
-
acetyl-Glu-3,3-diphenylalanine-Glu-beta-cyclohexyalanine-Cys-OH
-
0.0014 mM, 50% inhibition
acetyl-Glu-Asp-Val-Val-(alpha-aminobutyryl)-Cys-(1,2,3,4-tetrahydroisoquinoline-3-L-carboxyl)-Nle-Ser-Tyr-NH2
-
IC50: 0.0019 mM, inhibitor is cleaved by NS3/4A protease
acetyl-Glu-Asp-Val-Val-(alpha-aminobutyryl)-Cys-(Me)Ala-Nle-Ser-Tyr-NH2
-
IC50: 0.0035 mM, inhibitor is cleaved by NS3/4A protease
acetyl-Glu-Asp-Val-Val-Leu-Cys-(1,2,3,4-tetrahydroisoquinoline-3-L-carboxyl)-Nle-Ser-Tyr-NH2
-
IC50: 0.001 mM, inhibitor is cleaved by NS3/4A protease
acetyl-Glu-beta-cyclohexylalanine-Cys-OH
-
0.46 mM, 50% inhibition
acetyl-Glu-Leu-Glu-beta-cyclohexylalanine-Cys-OH
-
5 mM, 50% inhibition
acetyl-P-norvaline-(CO)-GMSYS-NH2
-
CVS4441
-
acetyl-QSVVCC-OH
-
-
acetyl-VVP-norvaline-(CO)-G-NH2
-
SCH212986
-
acetyl-VVP-norvaline-(CO)-S(Bzl)-NH2
-
SCH215426
-
alpha1-anitrypsin
-
-
-
antibody Fv fragment
-
specific for the HCV NS3 protease domain, IC50: 71.3 nM
-
Aprotinin
-
-
Aprotinin
-
-
Asp-Glu-Leu-Ile-L-cyclohexylalanine-aminobutyryl-(Me)Ala-Ser-His-Leu
-
IC50: 5 mM
Asp-Glu-Leu-Ile-L-cyclohexylalanine-Cys-OH
-
IC50: 15 nM
Asp-Glu-Leu-Ile-L-cyclohexylalanine-Cys-Pro-L-cyclohexylalanine-Asp-Leu
-
IC50 below 0.2 nM
Asp-Glu-Leu-Ile-L-cyclohexylalanine-Cys-Pro-Nle-Ser-Leu
-
IC50: 10 nM
benzyl 1-([[(2S)-1-[(1R,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]amino)cyclohexanecarboxylate
-
-
-
benzyloxycarbonyl-L-Ile-L-Leu-L-(difluoro)aminobutyric acid
-
-
BI201335
-
-
BILN 2061
significantly less active on genotype 2 and 3 enzyme
BILN 2061
-
potent inhibitor
BILN-2061
-
used in clinical trials. Potently inhibits Hepatitis C virus replication in human hepatoma cells, but causes cardiac toxicity in experimental animals
BILN-2061
-
about 90% inhibition at 40 nM
BILN-2061
-
rapidly reversible NS3 inhibitor
BILN2061
-
NS3 protease inhibitor, fully restores MAVS/IPS-1-dependent IFN-alpha promoter activity in Hepatitis C virus-infected cells
BILN2061
-
-
bis(4-aminophenyl)methanone
-
-
boceprevir
-
SCH 503034, slowly reversible covalent inhibitor
Bz-Ala-Lys-Arg-Arg-H
-
-
Bz-Ala-Lys-Arg-Arg-H
-
-
Bz-Arg-Arg-H
-
-
Bz-D-Nle-Lys-Arg-Arg-H
-
-
Bz-Lys-Arg-Arg-H
-
-
Bz-N-Me-Nle-Lys-Arg-Arg-H
-
-
Bz-Nle-Ala-Arg-Arg-H
-
-
Bz-Nle-Ala-Arg-Arg-H
-
-
Bz-Nle-D-Lys-Arg-Arg-H
-
-
Bz-Nle-Lys-Ala-Arg-H
-
-
Bz-Nle-Lys-Ala-Arg-H
-
-
Bz-Nle-Lys-Arg-(p-Cl)-Phe-H
-
-
Bz-Nle-Lys-Arg-(p-CN)-Phe-H
-
-
Bz-Nle-Lys-Arg-(p-guanidinyl)-Phe-H
-
-
Bz-Nle-Lys-Arg-(p-Ph)-Phe-H
-
-
Bz-Nle-Lys-Arg-Ala-H
-
-
Bz-Nle-Lys-Arg-Ala-H
-
-
Bz-Nle-Lys-Arg-Arg-H
-
-
Bz-Nle-Lys-Arg-Arg-H
-
-
Bz-Nle-Lys-Arg-D-Arg-H
-
-
Bz-Nle-Lys-Arg-His-H
-
-
Bz-Nle-Lys-Arg-Lys-H
-
-
Bz-Nle-Lys-Arg-Lys-H
-
-
Bz-Nle-Lys-Arg-Phe-H
-
-
Bz-Nle-Lys-Arg-Phe-H
-
-
Bz-Nle-Lys-Arg-Phg-H
-
-
Bz-Nle-Lys-Arg-Trp-H
-
-
Bz-Nle-Lys-Arg-Tyr-H
-
-
Bz-Nle-Lys-D-Arg-Arg-H
-
-
Bz-Nle-Lys-Lys(Z)-Arg-H
-
-
Bz-Nle-Lys-Lys-Arg-B(OH)2
-
-
Bz-Nle-Lys-Lys-Arg-H
-
-
Bz-Nle-Lys-Lys-Arg-H
-
-
Bz-Nle-Lys-N-Me-Arg-Arg-H
-
-
Bz-Nle-Lys-Phe-Arg-H
-
-
Bz-Nle-Lys-Phe-Arg-H
-
-
Bz-Nle-N-Me-Lys-Arg-Arg-H
-
-
Bz-Nle-Phe-Arg-Arg-H
-
-
Bz-Nle-Phe-Arg-Arg-H
-
-
Bz-Nle-Pro-Arg-Arg-H
-
-
Bz-Phe-Lys-Arg-Arg-H
-
-
Bz-Phe-Lys-Arg-Arg-H
-
-
chymostatin
-
0.71 mM, 50% inhibition
cyclopropanesulfonic acid [(Z)-(1R,4R,6S,15R,17R)-13-amino-17-(7-methoxy-2-phenyl-quinolin-4-yloxy)-2,14-dioxo-3,13-diaza-tricyclo[13.3.0.04,6]octadec-7-ene-4-carbonyl]-amide
-
-
cyclopropanesulfonic acid [(Z)-(1R,4R,6S,15R,17R)-17-(7-methoxy-2-phenyl-quinolin-4-yloxy)-13-methyl-2,14-dioxo-3,13-diaza-tricyclo[13.3.0.04,6]octadec-7-ene-4-carbonyl]-amide
-
high potency, lacks the P4 substituent
cyclopropanesulfonic acid [(Z)-(1R,4R,6S,15R,17S)-17-(7-methoxy-2-phenyl-quinolin-4-yloxy)-2,14-dioxo-3,13-diaza-tricyclo[13.3.0. 04,6]octadec-7-ene-4-carbonyl]-amide
-
-
cyclopropyl(4-methoxyphenyl)methanone
-
-
danoprevir
-
-
-
DCSTPC-OH
-
-
DDIVPC-OH
-
0.071 mM, 50% inhibition
deca-D-Arg-NH2
-
-
DEMEEC-NH2
-
-
DEMEEC-OH
-
-
dodeca-D-Arg-NH2
-
-
dodeka-D-Arg-NH2
-
-
EDTA
inhibits NS2/3 auto-cleavage and NS3 protease activity
EDTA
-
0.007 mM, 50% inhibition
EDVVAbuC-OH
-
-
EGTA
-
1.6 mM, 50% inhibition
fluorescein-L-Asp-D-Glu-L-Leu-L-Ile-L-beta-cyclohexylalanine-L-Cys-L-Pro-L-beta-cyclohexylalanine-L-Asp-L-Leu-NH2
-
i.e. PepInh-1, noncleavable decapeptidyl inhibitor
GS-9132
-
an acylthiourea with in vitro activity against Hepatitis C virus genotype 1, inhibits the formation of a functional replication complex. Reversible nephrotoxicity in clinical trials
hepta-D-Arg-NH2
-
-
hexa-D-Arg-NH2
-
-
IFN-alpha
-
-
-
iodoacetamide
-
0.26 mM, 50% inhibition
ITMN-191
-
high in vitro potency and specificity
ITMN-191
-
-
ITMN-191
-
rapidly reversible inhibitor
ITMN-C
-
active site inhibitor of the NS3-4A protease
-
L-aminobutyric acid carboxylic acid
-
non-electrophilic and acidic compound
L-aminobutyric acid pentafluoroethyl ketone
-
electrophilic and non-acidic compound
L-norvaline carboxylic acid
-
non-electrophilic and acidic compound
L-norvaline ketotetrazole
-
electrophilic and acidic compound
L-norvaline pentafluoroethyl ketone
-
electrophilic and non-acidic compound
L-Valine, N-[[[(1S)-1-[[(3'aR,6'aS)-1'-(cyclopropylcarbonyl)hexahydro-2'-oxospiro[cyclobutane-1,3'(4'H)-pyrrolo[3,2-b]pyrrol]-4'-yl]carbonyl]-2-methylpropyl]amino]carbonyl]-, 1,1-dimethylethyl ester
-
-
L-Valine, N-[[[(1S)-1-[[(3'aR,6'aS)-1'-(cyclopropylcarbonyl)hexahydro-2'-oxospiro[cyclobutane-1,3'(4'H)-pyrrolo[3,2-b]pyrrol]-4'-yl]carbonyl]-2-methylpropyl]amino]carbonyl]-, methyl ester
-
-
L-Valine, N-[[[(1S)-1-[[(3'aR,6'aS)-1'-(cyclopropylcarbonyl)hexahydro-2'-oxospiro[cyclobutane-1,3'(4'H)-pyrrolo[3,2-b]pyrrol]-4'-yl]carbonyl]-2-methylpropyl]amino]carbonyl]-, phenylmethyl ester
-
-
L-Valine, N-[[[(1S)-1-[[(3'aR,6'aS)-1'-(cyclopropylcarbonyl)hexahydro-2'-oxospiro[cyclobutane-1,3'(4'H)-pyrrolo[3,2-b]pyrrol]-4'-yl]carbonyl]-2-methylpropyl]amino]sulfonyl]-, 1,1-dimethylethyl ester
-
-
methyl [5-(thiophen-2-ylcarbonyl)-1H-benzimidazol-2-yl]carbamate
-
inhibitor binding to Zn2+-free enzyme, dissociation constant 0.0019 mM, EC50 value 0.00003 mM
N-(cyclohexylacetyl)-3-methyl-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide
-
50% inhibition at 0.000037 mM
N-(cyclohexylcarbamoyl)-3-methyl-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide
-
50% inhibition at 0.000009 mM
N-(cyclopentylcarbamoyl)-3-methyl-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide
-
50% inhibition at 0.000005 mM
N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[[7-(acetylamino)-2-phenylquinolin-4-yl]oxy]-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-L-prolinamide
-
50% inhibition at 0.000029 mM
N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-([2-[2-(dimethylamino)-1,3-thiazol-4-yl]pyridin-4-yl]oxy)-L-prolinamide
-
-
N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide
-
-
N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide
-
50% inhibition at 0.000029 mM
N-(tert-butoxycarbonyl)-D-valyl-(4S)-N-(1-carboxy-2-ethenylcyclopropyl)-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-D-prolinamide
-
50% inhibition of processing of substrate SEAP-1 at 0.00026 mM
N-(tert-butylcarbamoyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide
-
inhibitor derived from peptide DDIVPC applying rigidification of the peptide scaffold to the bioactive conformation
N-(tert-butylcarbamoyl)-3-methyl-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide
-
50% inhibition at 0.000008 mM
N-([(1R,4R)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2-methylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)-L-norvaline
-
-
N-([(1S,4S)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2-methylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)-L-norvaline
-
-
N-acetyl-L-alpha-aspartyl-L-alpha-glutamyl-b-phenyl-L-phenylalanyl-L-alpha-glutamyl-N-[1-(carboxycarbonyl)-3,3-difluoropropyl]-3-cyclohexyl-L-alaninamide
-
50% inhibition of processing of substrate SEAP-1 at 0.0067 mM
N-acetyl-L-alpha-aspartyl-L-alpha-glutamyl-beta-phenyl-L-phenylalanyl-L-alpha-glutamyl-3-cyclohexyl-L-alanine
-
1.17 mM, 50% inhibition
N-acetyl-L-alpha-aspartyl-N-[(1S)-2-[[(1S)-1-([(2S,4R)-2-[[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]carbamoyl]-4-[(2-phenylquinolin-4-yl)oxy]pyrrolidin-1-yl]carbonyl)-2,2-dimethylpropyl]amino]-1-cyclohexyl-2-oxoethyl]-D-alpha-glutamine
-
-
N-tosyl-Phe chloromethyl ketone
-
0.03 mM, 50% inhibition
N-tosyl-Phe chloromethyl ketone
-
-
N-[(1S)-1-cyclohexyl-2-[[(2S)-1-(2-{[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-1',3'-dihydrospiro[cyclobutane-1,2'-inden]-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]amino}-2-oxoethyl]pyrazine-2-carboxamide
-
compound displays an EC50 of 0.8 microM against hepatitis C virus with no toxicity in Huh7 and Vero cells at concentration up to 10 and 100 microM, respectively. Unfortunately, overall cytotoxicity in cell based systems discourages further development
N-[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]-L-norvaline
-
-
N-[(2S)-2-(acetylamino)-2-cyclohexylacetyl]-3-methyl-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide
-
50% inhibition at 0.000001 mM
N-[(2S)-2-(acetylamino)-2-cyclohexylacetyl]-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(2-phenylquinolin-4-yl)oxy]-L-prolinamide
-
50% inhibition at 0.000013 mM, no inhibition of human leukocyte elastase, cathepsin B
N-[(2S)-2-(acetylamino)-2-cyclohexylacetyl]-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(6-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide
-
50% inhibition at 0.000041 mM
N-[(2S)-2-(acetylamino)-2-cyclohexylacetyl]-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(7,8-dimethoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide
-
50% inhibition at 0.000013 mM
N-[(2S)-2-(acetylamino)-2-cyclohexylacetyl]-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide
-
50% inhibition at 0.000002 mM
N-[(2S)-2-(acetylamino)-2-cyclohexylacetyl]-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(8-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide
-
50% inhibition at 0.000005 mM
N-[(2S)-2-(acetylamino)-2-cyclohexylacetyl]-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[[2-(3-methoxyphenyl)quinolin-4-yl]oxy]-L-prolinamide
-
50% inhibition at 0.000010 mM
N-[(2S)-2-amino-2-cyclohexylacetyl]-3-methyl-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide
-
50% inhibition at 0.000018 mM
N-[(2S)-2-cyclohexylpropanoyl]-3-methyl-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide
-
50% inhibition at 0.000037 mM
N-[(2S)-2-[(N-acetyl-L-alpha-aspartyl-D-alpha-glutamyl)amino]-2-cyclohexylacetyl]-L-valyl-(4S)-4-(naphthalen-2-ylmethoxy)-D-prolyl-D-norvaline
-
-
N-[(cyclobutyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide
-
50% inhibition at 0.000024 mM
N-[(cyclohexyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide
-
50% inhibition at 0.000030 mM
N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(methylideneamino)cyclopropyl]-4-hydroxy-L-prolinamide
-
-
N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide
-
50% inhibition at 0.000014 mM
N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4S)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-phenyl-L-prolinamide
-
-
N-[(cyclopentyloxy)carbonyl]-L-leucyl-(4R)-N-[(2S,3R)-2-carboxy-3-ethenylcyclopropyl]-4-([7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy)-L-prolinamide
-
-
N-[(cyclopentyloxy)carbonyl]-L-leucyl-(4R)-N-[(2S,3S)-2-ethenyl-3-phosphonocyclopropyl]-4-([7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy)-L-prolinamide
-
-
N-[17-[2-(4-isopropylthiazole-2-yl)-7-methoxy-8-methylquinolin-4-yloxy]-13-methyl-2,14-dioxo-3,13-diazatricyclo [13.3.0.0(4,6)]octadec-7-ene-4-carbonyl](cyclopropyl)sulfonamide
-
HCV replication in a cellular assay (subgenomic 1b replicon) is inhibited with a half-maximal effective concentration (EC50) of 8 nM. The compound is synergistic with alpha interferon and an NS5B inhibitor in the replicon model and additive with ribavirin. In rats, the compound is extensively distributed to the liver and intestinal tract, and the absolute bioavailability is 44% after a single oral administration. Compound concentrations detected in both plasma and liver at 8 h postdosing are above the EC99 value measured in the replicon
N-{17-[8-chloro-2-(4-isopropylthiazol-2-yl)-7-methoxy-quinolin-4-yloxy]-2,14-dioxo-3,15-diazatricyclo [13.3.0.0]octadec-7-ene-4-carbonyl}-(1-methylcyclo propyl)-(1-methylcyclopropyl)sulfonamide
-
EC50 = 3.76 nM, non-cytotoxic (CC50 above 0.020 nM), and metabolically stable HCV inhibitor. Compound exhibits advantageous drug metabolism and pharmacokinetic properties in rat and dog, with a high liver exposure after oral administration, but limited heart exposure observed in rat
Nalpha-p-tosyl-Lys chloromethyl ketone
-
0.15 mM, 50% inhibition
-
Nalpha-p-tosyl-Lys chloromethyl ketone
-
-
-
nona-D-Arg-NH2
-
reduces infection in primary neurons
octa-D-Arg-NH2
-
-
peptidyl-alpha ketoamides
-
-
-
phenylmethanesulfonyl fluoride
-
0.6 mM, 50% inhibition
RNA aptamer G9-I
-
noncompetitive inhibition, Arg161 as well Arg130 of the NS3 protease domain are essential for interaction with the G9-I aptamer
-
RNA aptamer G9-II
-
-
-
RNA aptamer G9-III
-
-
-
SCH 503034
-
-
SCH-503034
-
used in clinical trials. Orally bioavailable, covalent, reversible alpha-keto amide inhibitor. Displays potent and time-dependent inhibition of the NS3-4A protease. Inhibitor dissociation constant in the low nanomolar range. Ability to effectively inhibit Hepatitis C virus RNA synthesis in the human hepatoma cells harboring the hepatitis C virus replicon
SCH-503034
-
-
SCH217135
-
-
SCH217142
-
-
SCH217942
-
-
SCH6
-
active site inhibitor of the NS3-4A protease
Spiro[cyclobutane-1,3'(2'H)-pyrrolo[3,2-b]pyrrol]-2'-one, 1'-(cyclopropylcarbonyl)-4'-[(2S)-2-[[(ethylamino)carbonyl]amino]-3-methyl-1-oxobutyl]hexahydro-, (3'aR,6'aS)-
-
-
Spiro[cyclobutane-1,3'(2'H)-pyrrolo[3,2-b]pyrrol]-2'-one, 1'-(cyclopropylcarbonyl)-4'-[(2S)-2-[[[(cyclopropylmethyl)amino]carbonyl]amino]-3-methyl-1-oxobutyl]hexahydro-, (3'aR,6'aS)-
-
-
Spiro[cyclobutane-1,3'(2'H)-pyrrolo[3,2-b]pyrrol]-2'-one, 1'-(cyclopropylcarbonyl)-4'-[(2S)-2-[[[[3-(dimethylamino)propyl]methylamino]carbonyl]amino]-3-methyl-1-oxobutyl]hexahydro-, (3'aR,6'aS)-
-
IC50: 0.00066 mM
Spiro[cyclobutane-1,3'(2'H)-pyrrolo[3,2-b]pyrrol]-2'-one, 1'-(cyclopropylcarbonyl)hexahydro-4'-[(2S)-2-[[[[(1S)-1-(hydroxymethyl)-2-methylpropyl]amino]carbonyl]amino]-3-methyl-1-oxobutyl]-, (3'aR,6'aS)-
-
-
Spiro[cyclobutane-1,3'(2'H)-pyrrolo[3,2-b]pyrrol]-2'-one, 1'-(cyclopropylcarbonyl)hexahydro-4'-[(2S)-3-methyl-1-oxo-2-[[(2-propenylamino)carbonyl]amino]butyl]-, (3'aR,6'aS)-
-
-
Spiro[cyclobutane-1,3'(2'H)-pyrrolo[3,2-b]pyrrol]-2'-one, 1'-(cyclopropylcarbonyl)hexahydro-4'-[(2S)-3-methyl-1-oxo-2-[[(propylamino)carbonyl]amino]butyl]-, (3'aR,6'aS)-
-
-
Spiro[cyclobutane-1,3'(2'H)-pyrrolo[3,2-b]pyrrol]-2'-one, 1'-(cyclopropylcarbonyl)hexahydro-4'-[(2S)-3-methyl-1-oxo-2-[[[(2,2,2-trifluoroethyl)amino]carbonyl]amino]butyl]-, (3'aR,6'aS)-
-
-
Spiro[cyclobutane-1,3'(2'H)-pyrrolo[3,2-b]pyrrol]-2'-one, 1'-(cyclopropylcarbonyl)hexahydro-4'-[(2S)-3-methyl-2-[[[(1-methylethyl)amino]carbonyl]amino]-1-oxobutyl]-, (3'aR,6'aS)-
-
-
Spiro[cyclobutane-1,3'(2'H)-pyrrolo[3,2-b]pyrrol]-2'-one, 1'-(cyclopropylcarbonyl)hexahydro-4'-[(2S)-3-methyl-2-[[[[(1S)-2-methyl-1-[[4-(2-pyrimidinyl)-1-piperazinyl]carbonyl]propyl]amino]carbonyl]amino]-1-oxobutyl]-, (3'aR,6'aS)-
-
-
Spiro[cyclobutane-1,3'(2'H)-pyrrolo[3,2-b]pyrrol]-2'-one, 4',4'''-[sulfonylbis[imino[(2S)-2-(1-methylethyl)-1-oxo-2,1-ethanediyl]]]bis[1'-(cyclopropylcarbonyl)hexahydro]-, (3'aR,3'''aR,6'aS,6'''aS)-
-
-
Spiro[cyclobutane-1,3'(2'H)-pyrrolo[3,2-b]pyrrol]-2'-one, 4'-[(2S)-2-amino-3-methyl-1-oxobutyl]-1'-(cyclopropylcarbonyl)hexahydro-, monohydrochloride, (3'aR,6'aS)-
-
-
Spiro[cyclobutane-1,3'(2'H)-pyrrolo[3,2-b]pyrrol]-2'-one, 4'-[(2S)-2-[(aminocarbonyl)amino]-3-methyl-1-oxobutyl]-1'-(cyclopropylcarbonyl)hexahydro-, (3'aR,6'aS)-
-
-
Spiro[cyclobutane-1,3'(2'H)-pyrrolo[3,2-b]pyrrol]-2'-one, 4'-[(2S)-2-[[(cyclohexylamino)carbonyl]amino]-3-methyl-1-oxobutyl]-1'-(cyclopropylcarbonyl)hexahydro-, (3'aR,6'aS)-
-
-
Spiro[cyclobutane-1,3'(2'H)-pyrrolo[3,2-b]pyrrol]-2'-one, 4'-[(2S)-2-[[(cyclopentylamino)carbonyl]amino]-3-methyl-1-oxobutyl]-1'-(cyclopropylcarbonyl)hexahydro-, (3'aR,6'aS)-
-
-
Spiro[cyclobutane-1,3'(2'H)-pyrrolo[3,2-b]pyrrol]-2'-one, 4'-[(2S)-2-[[(cyclopropylamino)carbonyl]amino]-3-methyl-1-oxobutyl]-1'-(cyclopropylcarbonyl)hexahydro-, (3'aR,6'aS)-
-
-
STAT-C
-
-
-
Suc-L-Asp-D-Glu-L-Leu-L-Ile-L-(cyclohexyl)Ala-1-aminocyclopropane-1-carboxylic acid
-
comparison with inhibitory effect on human leukocyte elastase, porcine pancreatic elastase, bovine pancreatic chymotrypsin, and cathepsin B
Suc-L-Asp-D-Glu-L-Leu-L-Ile-L-(cyclohexyl)Ala-1-aminocyclopropane-1-carboxylic acid
-
-
Suc-L-Asp-D-Glu-L-Leu-L-Ile-L-(cyclohexyl)Ala-1-aminocyclopropane-1-carboxylic acid-COOH
-
comparison with inhibitory effect on human leukocyte elastase, porcine pancreatic elastase, bovine pancreatic chymotrypsin, and cathepsin B
Suc-L-Asp-D-Glu-L-Leu-L-Ile-L-(cyclohexyl)Ala-1-aminocyclopropane-1-carboxylic acid-COOH
-
-
Suc-L-Asp-D-Glu-L-Leu-L-Ile-L-(cyclohexyl)Ala-1-aminocyclopropane-1-carboxylic acid-NHSO2Ph
-
comparison with inhibitory effect on human leukocyte elastase, porcine pancreatic elastase, bovine pancreatic chymotrypsin, and cathepsin B
Suc-L-Asp-D-Glu-L-Leu-L-Ile-L-(cyclohexyl)Ala-1-aminocyclopropane-1-carboxylic acid-NHSO2Ph
-
-
Suc-L-Asp-D-Glu-L-Leu-L-Ile-L-(cyclohexyl)Ala-L-2-aminovaleryl-NHSO2Ph
-
comparison with inhibitory effect on human leukocyte elastase, porcine pancreatic elastase, bovine pancreatic chymotrypsin, and cathepsin B
Suc-L-Asp-D-Glu-L-Leu-L-Ile-L-(cyclohexyl)Ala-L-2-aminovaleryl-NHSO2Ph
-
-
Suc-L-Asp-D-Glu-L-Leu-L-Ile-L-(cyclohexyl)Ala-L-aminobutyryl ((S)-2-amino-butanoyl)-C2F5
-
comparison with inhibitory effect on human leukocyte elastase, porcine pancreatic elastase, bovine pancreatic chymotrypsin, and cathepsin B
Suc-L-Asp-D-Glu-L-Leu-L-Ile-L-(cyclohexyl)Ala-L-aminobutyryl ((S)-2-amino-butanoyl)-C2F5
-
-
Suc-L-Asp-D-Glu-L-Leu-L-Ile-L-(cyclohexyl)Ala-L-Cys-OH
-
comparison with inhibitory effect on human leukocyte elastase, porcine pancreatic elastase, bovine pancreatic chymotrypsin, and cathepsin B
Suc-L-Asp-D-Glu-L-Leu-L-Ile-L-(cyclohexyl)Ala-L-Cys-OH
-
-
telaprevir
-
VX-950
telaprevir
-
VX-950, slowly reversible covalent inhibitor
tert-butyl (1-cyclohexyl-2-[(3R)-3-[(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]pentyl)carbamoyl]-2-azabicyclo[2.2.1]hept-2-yl]-2-oxoethyl)carbamate
-
-
tert-butyl (1-[[(3R)-3-([1-(2-cyclobutylethyl)-3-[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino]-2,3-dioxopropyl]carbamoyl)-2-azabicyclo[2.2.1]hept-2-yl]carbonyl]-2,2-dimethylpropyl)carbamate
-
non-preferred name
tert-butyl (1-[[(3R)-3-([1-(cyclopropylmethyl)-3-[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino]-2,3-dioxopropyl]carbamoyl)-2-azabicyclo[2.2.1]hept-2-yl]carbonyl]-2,2-dimethylpropyl)carbamate
-
non-preferred name
tert-butyl (1R,2S)-1-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]-2-ethenylcyclopropanecarboxylate
-
-
tert-butyl (1R,2S)-1-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]-2-ethenylcyclopropanecarboxylate
-
-
tert-butyl (2S)-([N-[3-([[(3S,18S)-18-cyclohexyl-16,19-dioxo-3,4-dihydro-1H-7,2-(epoxyheptanoiminoethano)isoquinolin-3-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoate
-
-
tert-butyl (2S)-([N-[3-([[(3S,6S)-6-cyclohexyl-5,8-dioxo-4,7-diazabicyclo[14.3.1]icosa-1(20),16,18-trien-3-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoate
-
-
tert-butyl (2S)-([N-[3-([[(7R,9S,12S)-12-cyclohexyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-trien-9-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoate
-
-
tert-butyl (2S)-[([[3-([[(6S,8S,9R,10S,13S)-13-cyclohexyl-12,15-dioxo-2,7,23-trioxa-11,14-diazatetracyclo[15.3.1.16,9.18,11]tricosa-1(21),17,19-trien-10-yl]carbonyl]amino)-2-oxohexanoyl]amino]acetyl)amino](phenyl)ethanoate
-
-
tert-butyl [(2R,6S,12Z,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-2-[(6-methoxyisoquinolin-1-yl)oxy]-5,16-dioxo-1,2,3,6,7,8,9,11,13a,14,14a,15,16,16a-tetradecahydro-5H-cyclopropa[e]pyrrolo[2,1-i][1,7,10]oxadiazacyclopentadecin-6-yl]carbamate
-
-
tert-butyl [1-([(3R)-3-[(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]-4-methylpentyl)carbamoyl]-2-azabicyclo[2.2.1]hept-2-yl]carbonyl)-2,2-dimethylpropyl]carbamate
-
non-preferred name
tert-butyl [1-([(3R)-3-[(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]pentyl)carbamoyl]-2-azabicyclo[2.2.1]hept-2-yl]carbonyl)-2,2-dimethylpropyl]carbamate
-
-
tert-butyl [1-cyclohexyl-2-[(3R)-3-([1-(cyclopropylmethyl)-3-[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino]-2,3-dioxopropyl]carbamoyl)-2-azabicyclo[2.2.1]hept-2-yl]-2-oxoethyl]carbamate
-
-
tert-butyl [2-[(3R)-3-([1-(cyclobutylmethyl)-3-[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino]-2,3-dioxopropyl]carbamoyl)-2-azabicyclo[2.2.1]hept-2-yl]-1-cyclohexyl-2-oxoethyl]carbamate
-
-
tert-butyloxacrybonyl-L-Glu-L-Leu-L-(difluoro)aminobutyric acid
-
-
TMC 435350
-
rapidly reversible inhibitor
TMC435
-
small-molecule reversible noncovalent inhibitor of the NS3/4A serine protease
trans-1,2-cyclohexanediamine-N,N,N',N'-tetraacetic acid
-
0.007 mM, 50% inhibition
undeca-D-Arg-NH2
-
-
vaniprevir
-
; MK-7009, i.e. (1R,21S,24S)-21-tert-butyl-N-((1R,2R)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethylcyclopropyl)-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]-heptacosa-6,8,10-triene-24-carboxamide
VX-950
equally active on enzyme from all three genotypes
VX-950
-
used in clinical trials. Orally biovailable tetrapeptide alpha-ketoamide, binds slowly and reversibly to the protease, with an affinity for the genotype 1 Hepatitis C virus NS4-4A protease in the low nanomolar range and a half life of nearly an hour. Moderately potent inhibitor of Hepatitis C virus replication. Achieves a more than a 10000fold suppression of hepatitis C virus RNA in replicon cells treated for 14 days in the presence of relatively low concentrations of the compound
VX-950
-
telaprevir
[(2R,5S,8S)-8-[(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)carbamoyl]-5-cyclohexyl-3,6,14,18-tetraoxo-1,4,7,13-tetraazacyclooctadecan-2-yl]acetic acid
-
-
[(2R,6R,12Z,13aS,14S,16aS)-6-[[(cyclopentyloxy)carbonyl]amino]-2-([7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy)-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-14-yl]phosphonic acid
-
-
[(3S,6R,17S)-17-[(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)carbamoyl]-3-cyclohexyl-2,5,8,11-tetraoxo-1,4,7,12-tetraazacycloheptadecan-6-yl]acetic acid
-
-
[(Z)-(1R,4R,6S,15R,17R)-4-cyclopropanesulfonylaminocarbonyl-17-(7-methoxy-2-phenyl-quinolin-4-yloxy)-2,14-dioxo-3,13-diaza-tricyclo[13.3.0.04,6]octadec-7-en-13-yl]-carbamic acid tert-butyl ester
-
-
[1-(6-Ethyl-4-methanesulfonyl-5-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carbonyl)-2-methyl-propyl]-carbamic acid tert-butyl ester
-
IC50: 0.0005 mM
[1-[1-(2-Mercapto-1-phenethylcarbamoyl-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-2-methyl-propyl]-carbamic acid benzyl ester
-
IC50: 0.4 mM
[1-[2-(2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethylcarbamoyl)-6,6-dichloro-3-aza-bicyclo[3.1.0]hexane-3-carbonyl]-2,2-dimethyl-propyl]-carbamic acid tert-butyl ester
-
is the most promising of all the inhibitors. With tert-leucine as P3 residue, extremely potent with single digit nanomolar potency in enzymatic assay. Excellent selectivity against elastase. Bioavailability above 10% in rat, monkey, and dog
[2-[2-(2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethylcarbamoyl)-6,6-dichloro-3-aza-bicyclo[3.1.0]hex-3-yl]-1-indan-2-yl-2-oxo-ethyl]-carbamic acid tert-butyl ester
-
-
MK-7009
-
i.e. (1R,21S,24S)-21-tert-butyl-N-((1R,2R)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethylcyclopropyl)-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,70.06,11]heptacosa-6,8,10-triene-24-carboxamide, potent and selective inhibitor of hepatitis C virus NS3/4A protease
additional information
-
alpha-ketoacids incorporating difluoroaminobutyric acid in the p1 position are potent slow binding inhibitors
-
additional information
-
many NS3 protease inhibitors have taken advantage of an unusual product inhibition by N-terminal products of cleavage at the polyprotein processing sites
-
additional information
-
solid-phase synthesis of peptidomimetic inhibitors
-
additional information
-
the effect of prime-site occupancy on the enzyme structure
-
additional information
-
inhibitors with electrophilic C-terminal residues are generally non-selective while compounds with non-electrophilic C-terminal residues are more selective. Compounds with P1 aminobutyric acid residues are non-selective, while 1-aminocyclopropanecarboxylic acid and norvaline-based inhibitors are generally selective. Most potent and selective inhibitors contain a non-electrophilic phenyl acyl sulfonamide C-terminal residue
-
additional information
-
the P1 and P2 positions are most important for inhibitor binding, whilst the P3 and P4 positions have much less effect
-
additional information
-
human leukocyte antigen A2restricted epitope in which substitutions at 5 of 9 residues destroy the protease
-
additional information
EGTA and zinc metalloprotease inhibitors bestatin, phosphoramidon and thiorphan have no effect on NS2/3 auto-cleavage and NS3 protease activity. No inhibitory effect of the NS4A peptide on NS2/3 auto-cleavage, additionally the NS4A peptide does not significantly affect the sensitivity of NS2/3 autocleavage to zinc chelation, but has a marked effect on NS3 protease activity, rendering this activity approximately 3fold more resistant to zinc chelation
-
additional information
-
methylated 3,3'-digalloylproprodelphinidin B2, hexanoylated (-)-epigallocatechin-3-O-gallate, (-)-epigallocatechin, (-)-epicatechin, gallic acid, luetolin, tyrosol and salidroside show no activity up to 100 micromol
-
additional information
-
two galloyl residues at 3 and 4 positions of the glucopyranose ring of the plant inhibitors interact with SER139, GLY137, ALA157, and ASP81 by hydrogen bond interaction and with ALA156 and HIE57 by hydrophobic interaction and are essential for the activities of the inhibitors
-
additional information
-
compounds with urea cappings are more potent and selective than their carbamate counterparts
-
additional information
-
protease is susceptible to feedback inhibition by the N-terminal products released from the polyprotein substrate after enzymatic cleavage
-
additional information
-
14-membered ring system is the most potent.The corresponding 13-, 15-, and 16-membered macrocyclic rings deliver less potent inhibitors. Corresponding P1 acylsulfonamides have superior potencies over the corresponding P1 carboxylic acids. Highly potent protease inhibitors lack the P4 substituent
-
additional information
-
macrocyclic peptidic inhibitors, are less susceptible to hydrolytic degradation by proteases, have markedly improved oral absorption, and pharmacokinetic properties compared to corresponding acyclic analogs
-
additional information
-
electrophilic compounds with a pentafluoroethyl ketone group show stronger inhibition at pH 8 than pH 6, the difference is only significant at high ionic strength. Electrophilic compounds with an acidic C-terminal group or a cyclic P1 residue show a lower inhibitory effect at pH 8 than at pH 6, inconsistent with a mechanism-based inhibition. All electrophilic compounds have a strong inhibition at pH 6, when mechanism-based inhibition is unlikely
-
additional information
-
decrease in the efficiency of expression of NS3/4A protease, as the concentration of Hepatitis C virus-infected cells increases
-
additional information
-
not inhibited by BMS-858
-
additional information
-
in the absence of Zn+2, the NS3 protease adopts a partially-folded inactive conformation. Identification of ligands binding to the Zn+2-free NS3 protease, that trap the inactive protein, and block the viral life cycle. Ligands show a new inhibition mechanism simultaneously blocking substrate and cofactor interactions in a non-competitive fashion, appropriate for combination therapy, low impact of known resistance-associated mutations and inhibition of NS4A binding, thus blocking its several effects on NS3 protease
-
additional information
-
no inhibition by bestatin, EDTA, Mn2+, Mg2+, Ca2+, K+
-
ACTIVATING COMPOUND
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
4A cofactor peptide
-
-
-
DTT
-
required for maximal activity
NS4A
-
cofactor for efficient for efficient cleavage at four sites in the nonstructural region, biological importance of the NS4A N-terminus, in fully potentiating NS3 enzymatic activity
-
NS4A
-
enhances the activity of NS3 protease in all cleavages via the formation of an NS3/NS4A; NS4A is a 54 residue amphipathic peptide acting as a cofactor and possibly assisting the membrane-localization of NS3
-
NS4A
-
enhances the activity of NS3 protease in all cleavages via the formation of an NS3/NS4A; hydrophobic central core of NS4A corresponding to residues 21-34, kinetic value for a modified peptide modified with a KK residue at the C-terminus to enhance solubility, Km: 0.00076 mM, kcat: 9 per min
-
NS4A
-
enhances the activity of NS3 protease in all cleavages via the formation of an NS3/NS4A
-
NS4A cofactor peptide
-
NS3-NS4A interaction consists of a high-affinity and a low-affinity interaction, contributing equally to the overall binding. By immobilizing NS3 alone or together with NS4A it is shown that inhibitors have a higher affinity for NS3 in the presence of NS4A. NS4A thus has a direct effect on the binding of inhibitors to NS3 and not only on catalysis
-
NS4A peptide
-
-
-
NS4A protein
-
NS4A serves as a cofactor for NS3 protease and helicase activities
-
Pep4AK
-
cofactor, peptide spanning the central hydrophobic core of the NS4A protein, with a three-lysine tag at the N-terminus
-
SP6EVC/S
-
inhibits by slow tight binding mechanism characteristics of serpin molecules, operating as a suicide substrate inhibitor. HCV-Pep4A is required for efficient formation of SDS-stable complex between NS3 protein and SP6EVC/S
-
Triton X-100
-
required for maximal activity
glycerol
-
-
additional information
both auto-cleavage and NS3 protease activity show absolute requirement for cysteine residues 1123, 1125 and 1171 within NS3. Cysteine 922 (within NS2) is only required for NS2/3 auto-cleavage activity and histidine 1175 is only required for NS3 activity. Complete NS3 protease domain (including the C-terminal alpha-helix) is required for NS2/3 auto-cleavage, the activity of the NS3 protease is not essential
-
KM VALUE [mM]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.0658
2-Naph-3Pya-Lys-Arg-p-nitroanilide
-
-
0.021
2-Naph-Cit-Lys-Arg-p-nitroanilide
-
-
0.1007
2-Naph-Cit-Orn-Arg-p-nitroanilide
-
-
0.048
2-Naph-hArg-Lys-Arg-p-nitroanilide
-
-
2.303
2-Naph-Lys-AcLys-Arg-p-nitroanilide
-
-
0.0434
2-Naph-Lys-Arg-Arg-p-nitroanilide
-
-
3.423
2-Naph-Lys-Cit-Arg-p-nitroanilide
-
-
0.0267
2-Naph-Lys-hArg-Arg-p-nitroanilide
-
-
0.0254
2-Naph-Lys-Lys-Arg-p-nitroanilide
-
-
0.0977
2-Naph-Lys-Lys-Arg-p-nitroanilide
-
NS3 mutant V154F
0.0368
2-Naph-Lys-Orn-Arg-p-nitroanilide
-
-
0.038
2-Naph-Orn-Lys-Arg-p-nitroanilide
-
-
0.0229
2-Naph-Orn-Orn-Arg-p-nitroanilide
-
-
0.00076
7-methoxycoumarin-4-acetyl-DEMEECASHLPYK-(epsilon-NHCOCH3)
-
presence of inhibitor peptide 4Apep21-34KK
0.0292
7-methoxycoumarin-4-acetyl-DEMEECASHLPYK-(epsilon-NHCOCH3)
-
-
0.0436
7-methoxycoumarin-4-acetyl-EDASTPCSGSN-(4-nitro)Phe
-
presence of inhibitor peptide 4Apep21-34KK
0.053
9-fluorenylmethyloxycarbonyl-YQEFDEMEECASHLPYIEQG
-
-
0.0797
Ac-Aib-Lys-Lys-Arg-p-nitroanilide
-
-
0.0755
Ac-Aoc-Lys-Lys-Arg-p-nitroanilide
-
-
0.0227
Ac-Asp-Glu-Lys(TAMRA)-Glu-Glu-AbuPSI[COO]-Ala-Ser-Lys(QSY-7)-amide
-
in the presence of 0.0174% DDM
0.03
Ac-Asp-Glu-Lys(TAMRA)-Glu-Glu-AbuPSI[COO]-Ala-Ser-Lys(QSY-7)-amide
-
-
0.0367
Ac-Asp-Glu-Lys(TAMRA)-Glu-Glu-AbuPSI[COO]-Ala-Ser-Lys(QSY-7)-amide
-
operating at wavelengths 515 nm/605 nm (excitation/emission)
0.03984
Ac-Asp-Glu-Lys(TAMRA)-Glu-Glu-AbuPSI[COO]-Ala-Ser-Lys(QSY-7)-amide
-
operating at wavelengths 524 nm/600 nm (excitation/emission)
0.0699
Ac-Cha-Lys-Lys-Arg-p-nitroanilide
-
-
0.0819
Ac-Chg-Lys-Lys-Arg-p-nitroanilide
-
-
0.063
Ac-DEEMECASHLPYK-NH2
-
wild-type NS3 protease plus cofactor NS4A, in 50 mM HEPES buffer, pH 7.5, 0.1% 1-O-n-octyl-beta-D-glucopyranoside, 15% glycerol, 30 mM DTT
0.087
Ac-DEEMECASHLPYK-NH2
-
engineered single-chain protease plus cofactor NS4A, in 50 mM HEPES buffer, pH 7.5, 0.1% 1-O-n-octyl-beta-D-glucopyranoside, 15% glycerol, 30 mM DTT
0.088
Ac-DEEMECASHLPYK-NH2
-
engineered single-chain protease, in 50 mM HEPES buffer, pH 7.5, 0.1% 1-O-n-octyl-beta-D-glucopyranoside, 15% glycerol, 30 mM DTT
0.102
Ac-DEEMECASHLPYK-NH2
-
wild-type NS3 protease, in 50 mM HEPES buffer, pH 7.5, 0.1% 1-O-n-octyl-beta-D-glucopyranoside, 15% glycerol, 30 mM DTT
0.403
Ac-DEEMECASHLPYK-NH2
-
wild-type NS3 protease plus cofactor NS4A, in 50 mM HEPES buffer, pH 7.5, 0.1% 1-O-n-octyl-beta-D-glucopyranoside, 15% glycerol, 30 mM DTT, 150 mM NaCl
0.49
Ac-DEEMECASHLPYK-NH2
-
wild-type NS3 protease, in 50 mM HEPES buffer, pH 7.5, 0.1% 1-O-n-octyl-beta-D-glucopyranoside, 15% glycerol, 30 mM DTT, 150 mM NaCl
0.502
Ac-DEEMECASHLPYK-NH2
-
engineered single-chain protease plus cofactor NS4A, in 50 mM HEPES buffer, pH 7.5, 0.1% 1-O-n-octyl-beta-D-glucopyranoside, 15% glycerol, 30 mM DTT, 150 mM NaCl
0.519
Ac-DEEMECASHLPYK-NH2
-
engineered single-chain protease, in 50 mM HEPES buffer, pH 7.5, 0.1% 1-O-n-octyl-beta-D-glucopyranoside, 15% glycerol, 30 mM DTT, 150 mM NaCl
0.74
Ac-DPNRKR-4-nitroanilide
-
37C, pH 9.5
0.0012
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
genotype 3 mutant R123T, 30C, pH 6.5
0.0026
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
genotype 2 enzyme, 30C, pH 6.5
0.0034
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
genotype 2 and 3 mutant V132L, 30C, pH 6.5
0.0039
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
genotype 1b enzyme, 30C, pH 6.5
0.0042
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
genotype 3 mutant D168Q, 30C, pH 6.5
0.0044
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
genotype 2 mutant S122K/V132L, 30C, pH 6.5
0.0047
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
genotype 2 mutant V78A/D79E/Q80G/S122K/V321L, 30C, pH 6.5
0.0048
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
genotype 2 mutant S122K, 30C, pH 6.5
0.005
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
genotype 2 mutant T160A, 30C, pH 6.5; genotype 3 mutant R123T/D168Q/V132L, 30C, pH 6.5
0.0051
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
genotype 3 mutant R123T/D168Q, 30C, pH 6.5
0.0055
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
genotype 2 mutant Q80G, 30C, pH 6.5
0.0058
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
genotype 2 mutant D79E, 30C, pH 6.5
0.0059
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
genotype 2 mutant V78A, 30C, pH 6.5
0.0072
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
genotype 3 enzyme, 30C, pH 6.5
0.0073
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
genotype 2 mutant V78A/D79E/Q80G, 30C, pH 6.5
3.1
Ac-EMEECASHLP
-
-
0.45
Ac-FASGKR-4-nitroanilide
-
37C, pH 9.5
0.17
Ac-KPGLKR-4-nitroanilide
-
wild-type, pH 9.5, 37C
0.246
Ac-KPGLKR-4-nitroanilide
-
mutant Y150F, pH 9.5, 37C
0.357
Ac-KPGLKR-4-nitroanilide
-
mutant S160A, pH 9.5, 37C
0.36
Ac-KPGLKR-4-nitroanilide
-
mutant V115A, pH 9.5, 37C
0.561
Ac-KPGLKR-4-nitroanilide
-
mutant D129E, pH 9.5, 37C
0.611
Ac-KPGLKR-4-nitroanilide
-
mutant D129N, pH 9.5, 37C
0.821
Ac-KPGLKR-4-nitroanilide
-
37C, pH 9.5
2.942
Ac-KPGLKR-4-nitroanilide
-
mutant D129A, pH 9.5, 37C
1.1
Ac-L-Asp-L-Glu-L-Asp-(EDANS)-L-Glu-L-Glu-alpha-aminobutyric acid-PSI[COO]-L-Ala-L-Ser-L-Lys-(DABCYL)-NH2
-
wild-type, pH 7.8, 30C
1.3
Ac-L-Asp-L-Glu-L-Asp-(EDANS)-L-Glu-L-Glu-alpha-aminobutyric acid-PSI[COO]-L-Ala-L-Ser-L-Lys-(DABCYL)-NH2
-
mutant A156T, pH 7.8, 30C
2.6
Ac-L-Asp-L-Glu-L-Asp-(EDANS)-L-Glu-L-Glu-alpha-aminobutyric acid-PSI[COO]-L-Ala-L-Ser-L-Lys-(DABCYL)-NH2
-
mutant A156V, pH 7.8, 30C
0.0887
Ac-Leu-3Pya-Lys-Arg-p-nitroanilide
-
-
0.2548
Ac-Leu-4Pya-Lys-Arg-p-nitroanilide
-
-
0.1413
Ac-Leu-aPhe-Lys-Arg-p-nitroanilide
-
-
0.2086
Ac-Leu-Cit-Lys-Arg-p-nitroanilide
-
-
0.199
Ac-Leu-Gln-Tyr-Thr-Lys-Arg-p-nitroanilide
-
-
0.232
Ac-Leu-Gln-Tyr-Thr-Lys-Arg-p-nitroanilide
-
NS3 mutant V166L
0.344
Ac-Leu-Gln-Tyr-Thr-Lys-Arg-p-nitroanilide
-
NS3 mutant V154L
0.376
Ac-Leu-Gln-Tyr-Thr-Lys-Arg-p-nitroanilide
-
NS3 mutant T111F
0.416
Ac-Leu-Gln-Tyr-Thr-Lys-Arg-p-nitroanilide
-
NS3 mutant I162F
0.617
Ac-Leu-Gln-Tyr-Thr-Lys-Arg-p-nitroanilide
-
NS3 mutant T111L
0.879
Ac-Leu-Gln-Tyr-Thr-Lys-Arg-p-nitroanilide
-
NS3 mutant M156A
0.0625
Ac-Leu-hArg-Lys-Arg-p-nitroanilide
-
-
0.0546
Ac-Leu-Lys-Lys-Arg-p-nitroanilide
-
-
0.096
Ac-Leu-Lys-Lys-Arg-p-nitroanilide
-
NS3 mutant V166L
0.164
Ac-Leu-Lys-Lys-Arg-p-nitroanilide
-
NS3 mutant M156A
0.169
Ac-Leu-Lys-Lys-Arg-p-nitroanilide
-
NS3 mutant T111F
0.19
Ac-Leu-Lys-Lys-Arg-p-nitroanilide
-
NS3 mutant V154L
0.207
Ac-Leu-Lys-Lys-Arg-p-nitroanilide
-
NS3 mutant I155F
0.214
Ac-Leu-Lys-Lys-Arg-p-nitroanilide
-
NS3 mutant T111L
0.221
Ac-Leu-Lys-Lys-Arg-p-nitroanilide
-
NS3 mutant A164S
0.263
Ac-Leu-Lys-Lys-Arg-p-nitroanilide
-
NS3 mutant V154F
0.268
Ac-Leu-Lys-Lys-Arg-p-nitroanilide
-
NS3 mutant I162F
0.331
Ac-Leu-Lys-Lys-Arg-p-nitroanilide
-
NS3 mutant A164V
0.432
Ac-Leu-Lys-Lys-Arg-p-nitroanilide
-
NS3 mutant D129E
0.635
Ac-Leu-Lys-Lys-Arg-p-nitroanilide
-
NS3 mutant D129A
0.2541
Ac-Leu-nPhe-Lys-Arg-p-nitroanilide
-
-
0.1055
Ac-Leu-Orn-Lys-Arg-p-nitroanilide
-
-
0.892
Ac-LQYTKR-4-nitroanilide
-
37C, pH 9.5
0.0807
Ac-Nle-Lys-Lys-Arg-p-nitroanilide
-
-
0.0673
Ac-Nva-Lys-Lys-Arg-p-nitroanilide
-
-
0.1342
Ac-Tbg-Lys-Lys-Arg-p-nitroanilide
-
-
0.15
Ac-YQEFDEMEECAS
-
-
0.11
Ac-YQEFDEMEECASH
-
-
0.12
Ac-YQEFDEMEECASHL
-
-
0.095
Ac-YQEFDEMEECASHLP
-
-
0.0028
acetyl-DEMEECASHLPYL-(epsilon-NHCOCH3)
-
presence of inhibitor peptide 4Apep21-34KK
0.0013
anthraniloyl-DDIVP-Abu[C(O)-O] AMY(3-NO2)-TW-OH
-
enzyme from hepatitis C virus genotype 4a, in 1 M MES (pH 5.8), at 23C
0.0021
anthraniloyl-DDIVP-Abu[C(O)-O] AMY(3-NO2)-TW-OH
-
enzyme from hepatitis C virus genotype 1b, in 1 M MES (pH 5.8), at 23C
0.0028
anthraniloyl-DDIVP-Abu[C(O)-O] AMY(3-NO2)-TW-OH
-
enzyme from hepatitis C virus genotype 6a, in 1 M MES (pH 5.8), at 23C
0.0035
anthraniloyl-DDIVP-Abu[C(O)-O] AMY(3-NO2)-TW-OH
-
enzyme from hepatitis C virus genotype 2a, in 1 M MES (pH 5.8), at 23C
0.0066
anthraniloyl-DDIVP-Abu[C(O)-O] AMY(3-NO2)-TW-OH
-
enzyme from hepatitis C virus genotype 5a, in 1 M MES (pH 5.8), at 23C
0.0029
anthranilyl-DDIVPAbu[C(O)-O]AMY(3-NO2)TW-OH
-
single chain NS3 protease domain, at 23C
0.0042
anthranilyl-DDIVPAbu[C(O)-O]AMY(3-NO2)TW-OH
-
mutant full-length protease M485A/V524A/Q562A, at 23C
0.1422
Boc-Gly-Arg-Arg-AMC
-
-
0.041
Boc-RVRR-7-amido-4-methylcoumarin
-
pH 8.0, 18C
0.0146
Bz-norleucine-lysine-arginine-arginine-AMC
-
-
10
DEMEECASHLPYK
-
-
0.16
DEMEECSQHLPYI
-
presence of cofactor
0.805
DEMEECSQHLPYI
-
absence of cofactor
0.019
DTEDVVCCSMSYTWTGK
-
protease NS4A(21-32)-GSGS-NS3(3-181)
0.02
DTEDVVCCSMSYTWTGK
-
protease NS3(1-631)/NS4A(1-54)
0.08
DTEDVVCCSMSYTWTGK
-
protease NS3(1-181)/NS4A
0.0004
EAGDDIVPCSMSYTWTGA-OH
-
pH 7.5, mutant enzyme K136M
0.0005
EAGDDIVPCSMSYTWTGA-OH
-
pH 7.5, mutant enzyme K165S; pH 7.5, wild-type enzyme
0.001
EAGDDIVPCSMSYTWTGA-OH
-
pH 7.5, mutant enzyme R161S
0.0012
EAGDDIVPCSMSYTWTGA-OH
-
pH 7.5, mutant enzyme K136M/R109Q; pH 7.5, mutant enzyme R123T; pH 7.5, mutant enzyme R155S
0.0018
EAGDDIVPCSMSYTWTGA-OH
-
pH 7.5, mutant enzyme R109Q
0.0054
EAGDDIVPCSMSYTWTGA-OH
-
pH 7.5, mutant enzyme K165S/R161S
0.0041
EAGDNIVPCSMSYTWTGA-OH
-
pH 7.5, wild-type enzyme
0.0038
EAGNDIVPCSMSYTWTGA-OH
-
pH 7.5, wild-type enzyme
0.0252
EAGNNIVPCSMSYTWTGA-OH
-
pH 7.5, wild-type enzyme
0.029
EDVV-4-aminobutyryl-CSMSY
-
mutant V36L, in the presence of cofactor peptide KKGSVVIVGRIVLSCK
0.032
EDVV-4-aminobutyryl-CSMSY
-
presence of cofactor
0.051
EDVV-4-aminobutyryl-CSMSY
-
mutant V36M, in the presence of cofactor peptide KKGSVVIVGRIVLSCK
0.053
EDVV-4-aminobutyryl-CSMSY
-
wild-type, genotype 1a, in the presence of cofactor peptide KKGSVVIVGRIVLSCK
0.18
EDVV-4-aminobutyryl-CSMSY
-
mutant V36M/R155K, in the presence of cofactor peptide KKGSVVIVGRIVLSCK
0.27
EDVV-4-aminobutyryl-CSMSY
-
absence of cofactor
0.29
EDVV-4-aminobutyryl-CSMSY
-
wild-type, genotype 1b, in the presence of cofactor peptide KKGSVVIVGRIVLSCK
0.38
EDVV-4-aminobutyryl-CSMSY
-
mutant V36A, in the presence of cofactor peptide KKGSVVIVGRIVLSCK
0.053
EDVV-Abu-CSMSY
-
wild-type
0.068
EDVV-Abu-CSMSY
-
mutant R155T
0.168
EDVV-Abu-CSMSY
-
mutant R155K
0.552
EDVV-Abu-CSMSY
-
mutant R155S
3.8
EDVVAbuCSMSY-NH2
-
-
1.01
Glu-Asp-Val-Val-4-aminobutyryl-Cys-p-nitroanilide
-
presence of cofactor
0.051
o-aminobenzoyl (Abz)-L-Asp-L-Asp-L-Ile-L-Val-L-Pro-L-Cys-L-Ser-L-Met-L-Ser-L-Tyr(3-NO2)-L-Thr-NH2
-
pH 7.3, 30C
0.043
Pyr-RTKR-7-amido-4-methylcoumarin
-
pH 8.0, 18C
0.146
Z-RR-7-amido-4-methylcoumarin
-
pH 8.0, 18C
1.08
Glu-Asp-Val-Val-4-aminobutyryl-Cys-p-nitroanilide
-
absence of cofactor
additional information
additional information
-
-
-
TURNOVER NUMBER [1/s]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.96
2-Naph-3Pya-Lys-Arg-p-nitroanilide
West Nile virus
-
-
0.32
2-Naph-Cit-Lys-Arg-p-nitroanilide
West Nile virus
-
-
0.57
2-Naph-Cit-Orn-Arg-p-nitroanilide
West Nile virus
-
-
0.11
2-Naph-hArg-Lys-Arg-p-nitroanilide
West Nile virus
-
-
0.3
2-Naph-Lys-AcLys-Arg-p-nitroanilide
West Nile virus
-
-
0.89
2-Naph-Lys-Arg-Arg-p-nitroanilide
West Nile virus
-
-
0.43
2-Naph-Lys-Cit-Arg-p-nitroanilide
West Nile virus
-
-
0.59
2-Naph-Lys-hArg-Arg-p-nitroanilide
West Nile virus
-
-
0.0431
2-Naph-Lys-Lys-Arg-p-nitroanilide
West Nile virus
-
NS3 mutant V154F
1.08
2-Naph-Lys-Lys-Arg-p-nitroanilide
West Nile virus
-
-
1.58
2-Naph-Lys-Orn-Arg-p-nitroanilide
West Nile virus
-
-
0.98
2-Naph-Orn-Lys-Arg-p-nitroanilide
West Nile virus
-
-
0.27
2-Naph-Orn-Orn-Arg-p-nitroanilide
West Nile virus
-
-
0.006
7-methoxycoumarin-4-acetyl-DEMEECASHLPYK-(epsilon-NHCOCH3)
Hepatitis C virus
-
-
0.15
7-methoxycoumarin-4-acetyl-DEMEECASHLPYK-(epsilon-NHCOCH3)
Hepatitis C virus
-
presence of inhibitor peptide 4Apep21-34KK
0.227
7-methoxycoumarin-4-acetyl-EDASTPCSGSN-(4-nitro)Phe
Hepatitis C virus
-
presence of inhibitor peptide 4Apep21-34KK
0.00833
9-fluorenylmethyloxycarbonyl-YQEFDEMEECASHLPYIEQG
Hepatitis C virus
-
-
1.6
Ac-Aib-Lys-Lys-Arg-p-nitroanilide
West Nile virus
-
-
2.51
Ac-Aoc-Lys-Lys-Arg-p-nitroanilide
West Nile virus
-
-
0.6
Ac-Asp-Glu-Lys(TAMRA)-Glu-Glu-AbuPSI[COO]-Ala-Ser-Lys(QSY-7)-amide
Hepatitis C virus
-
-
1
Ac-Asp-Glu-Lys(TAMRA)-Glu-Glu-AbuPSI[COO]-Ala-Ser-Lys(QSY-7)-amide
Hepatitis C virus
-
operating at wavelengths 524 nm/600 nm (excitation/emission)
1.2
Ac-Asp-Glu-Lys(TAMRA)-Glu-Glu-AbuPSI[COO]-Ala-Ser-Lys(QSY-7)-amide
Hepatitis C virus
-
operating at wavelengths 515 nm/605 nm (excitation/emission)
7.2
Ac-Asp-Glu-Lys(TAMRA)-Glu-Glu-AbuPSI[COO]-Ala-Ser-Lys(QSY-7)-amide
Hepatitis C virus
-
in the presence of 0.0174% DDM
2.28
Ac-Cha-Lys-Lys-Arg-p-nitroanilide
West Nile virus
-
-
1.78
Ac-Chg-Lys-Lys-Arg-p-nitroanilide
West Nile virus
-
-
0.00167
Ac-DEEMECASHLPYK-NH2
Hepatitis C virus
-
wild-type NS3 protease, in 50 mM HEPES buffer, pH 7.5, 0.1% 1-O-n-octyl-beta-D-glucopyranoside, 15% glycerol, 30 mM DTT
0.00183
Ac-DEEMECASHLPYK-NH2
Hepatitis C virus
-
wild-type NS3 protease, in 50 mM HEPES buffer, pH 7.5, 0.1% 1-O-n-octyl-beta-D-glucopyranoside, 15% glycerol, 30 mM DTT, 150 mM NaCl
0.0233
Ac-DEEMECASHLPYK-NH2
Hepatitis C virus
-
wild-type NS3 protease plus cofactor NS4A, in 50 mM HEPES buffer, pH 7.5, 0.1% 1-O-n-octyl-beta-D-glucopyranoside, 15% glycerol, 30 mM DTT
0.0253
Ac-DEEMECASHLPYK-NH2
Hepatitis C virus
-
engineered single-chain protease, in 50 mM HEPES buffer, pH 7.5, 0.1% 1-O-n-octyl-beta-D-glucopyranoside, 15% glycerol, 30 mM DTT
0.0255
Ac-DEEMECASHLPYK-NH2
Hepatitis C virus
-
engineered single-chain protease plus cofactor NS4A, in 50 mM HEPES buffer, pH 7.5, 0.1% 1-O-n-octyl-beta-D-glucopyranoside, 15% glycerol, 30 mM DTT
0.0267
Ac-DEEMECASHLPYK-NH2
Hepatitis C virus
-
wild-type or engineered single-chain protease plus cofactor NS4A, in 50 mM HEPES buffer, pH 7.5, 0.1% 1-O-n-octyl-beta-D-glucopyranoside, 15% glycerol, 30 mM DTT, 150 mM NaCl
0.03
Ac-DEEMECASHLPYK-NH2
Hepatitis C virus
-
engineered single-chain protease, in 50 mM HEPES buffer, pH 7.5, 0.1% 1-O-n-octyl-beta-D-glucopyranoside, 15% glycerol, 30 mM DTT, 150 mM NaCl
1.3
Ac-DPNRKR-4-nitroanilide
West Nile virus
-
37C, pH 9.5
0.033
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
Hepatitis C virus
P27958
genotype 3 mutant D168Q, 30C, pH 6.5
0.095
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
Hepatitis C virus
P27958
genotype 2 and 3 mutant V132L, 30C, pH 6.5
0.13
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
Hepatitis C virus
P27958
genotype 3 mutant R123T, 30C, pH 6.5
0.133
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
Hepatitis C virus
P27958
genotype 2 mutant V78A/D79E/Q80G/S122K/V321L, 30C, pH 6.5
0.16
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
Hepatitis C virus
P27958
genotype 2 mutant V78A/D79E/Q80G, 30C, pH 6.5
0.2
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
Hepatitis C virus
P27958
genotype 2 mutant T160A, 30C, pH 6.5
0.22
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
Hepatitis C virus
P27958
genotype 2 mutant D79E, 30C, pH 6.5; genotype 2 mutant Q80G, 30C, pH 6.5
0.25
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
Hepatitis C virus
P27958
genotype 2 mutant S122K/V132L, 30C, pH 6.5; genotype 3 mutant R123T/D168Q, 30C, pH 6.5
0.3
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
Hepatitis C virus
P27958
genotype 2 mutant V78A, 30C, pH 6.5; genotype 3 mutant R123T/D168Q/V132L, 30C, pH 6.5
0.4
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
Hepatitis C virus
P27958
genotype 1b enzyme, 30C, pH 6.5
0.43
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
Hepatitis C virus
P27958
genotype 2 enzyme, 30C, pH 6.5
0.57
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
Hepatitis C virus
P27958
genotype 3 enzyme, 30C, pH 6.5
0.58
Ac-DTEDVVP(Nva)-O-4-phenylazophenyl ester
Hepatitis C virus
P27958
genotype 2 mutant S122K, 30C, pH 6.5
0.005
Ac-EMEECASHLP
Hepatitis C virus
-
-
1.9
Ac-FASGKR-4-nitroanilide
West Nile virus
-
37C, pH 9.5
0.011
Ac-KPGLKR-4-nitroanilide
West Nile virus
-
mutant D129A, pH 9.5, 37C
0.019
Ac-KPGLKR-4-nitroanilide
West Nile virus
-
mutant D129E, pH 9.5, 37C
0.038
Ac-KPGLKR-4-nitroanilide
West Nile virus
-
mutant D129N, pH 9.5, 37C
0.133
Ac-KPGLKR-4-nitroanilide
West Nile virus
-
mutant Y150F, pH 9.5, 37C
0.394
Ac-KPGLKR-4-nitroanilide
West Nile virus
-
mutant S160A, pH 9.5, 37C
0.872
Ac-KPGLKR-4-nitroanilide
West Nile virus
-
mutant V115A, pH 9.5, 37C
0.965
Ac-KPGLKR-4-nitroanilide
West Nile virus
-
wild-type, pH 9.5, 37C
1.5
Ac-KPGLKR-4-nitroanilide
West Nile virus
-
37C, pH 9.5
6.08
Ac-KPGLKR-4-nitroanilide
West Nile virus
-
mutant V115A, pH 9.5, 37C; wild-type, pH 9.5, 37C
0.2
Ac-L-Asp-L-Glu-L-Asp-(EDANS)-L-Glu-L-Glu-alpha-aminobutyric acid-PSI[COO]-L-Ala-L-Ser-L-Lys-(DABCYL)-NH2
Hepatitis C virus
-
mutant A156T, pH 7.8, 30C
0.6
Ac-L-Asp-L-Glu-L-Asp-(EDANS)-L-Glu-L-Glu-alpha-aminobutyric acid-PSI[COO]-L-Ala-L-Ser-L-Lys-(DABCYL)-NH2
Hepatitis C virus
-
mutant A156V, pH 7.8, 30C
1
Ac-L-Asp-L-Glu-L-Asp-(EDANS)-L-Glu-L-Glu-alpha-aminobutyric acid-PSI[COO]-L-Ala-L-Ser-L-Lys-(DABCYL)-NH2
Hepatitis C virus
-
wild-type, pH 7.8, 30C
0.5
Ac-Leu-3Pya-Lys-Arg-p-nitroanilide
West Nile virus
-
-
0.9
Ac-Leu-4Pya-Lys-Arg-p-nitroanilide
West Nile virus
-
-
0.75
Ac-Leu-aPhe-Lys-Arg-p-nitroanilide
West Nile virus
-
-
1.44
Ac-Leu-Cit-Lys-Arg-p-nitroanilide
West Nile virus
-
-
0.018
Ac-Leu-Gln-Tyr-Thr-Lys-Arg-p-nitroanilide
West Nile virus
-
NS3 mutant T111L
0.04
Ac-Leu-Gln-Tyr-Thr-Lys-Arg-p-nitroanilide
West Nile virus
-
NS3 mutant I162F
0.051
Ac-Leu-Gln-Tyr-Thr-Lys-Arg-p-nitroanilide
West Nile virus
-
NS3 mutant T111F
0.245
Ac-Leu-Gln-Tyr-Thr-Lys-Arg-p-nitroanilide
West Nile virus
-
NS3 mutant V154L
0.266
Ac-Leu-Gln-Tyr-Thr-Lys-Arg-p-nitroanilide
West Nile virus
-
-
0.297
Ac-Leu-Gln-Tyr-Thr-Lys-Arg-p-nitroanilide
West Nile virus
-
NS3 mutant V166L
0.314
Ac-Leu-Gln-Tyr-Thr-Lys-Arg-p-nitroanilide
West Nile virus
-
NS3 mutant M156A
118
Ac-Leu-hArg-Lys-Arg-p-nitroanilide
West Nile virus
-
-
0.036
Ac-Leu-Lys-Lys-Arg-p-nitroanilide
West Nile virus
-
NS3 mutant D129E
0.048
Ac-Leu-Lys-Lys-Arg-p-nitroanilide
West Nile virus
-
NS3 mutant D129A
0.057
Ac-Leu-Lys-Lys-Arg-p-nitroanilide
West Nile virus
-
NS3 mutant V154F
0.06
Ac-Leu-Lys-Lys-Arg-p-nitroanilide
West Nile virus
-
NS3 mutant T111L
0.164
Ac-Leu-Lys-Lys-Arg-p-nitroanilide
West Nile virus
-
NS3 mutant I162F
0.181
Ac-Leu-Lys-Lys-Arg-p-nitroanilide
West Nile virus
-
NS3 mutant A164V
0.198
Ac-Leu-Lys-Lys-Arg-p-nitroanilide
West Nile virus
-
NS3 mutant T111F
0.26
Ac-Leu-Lys-Lys-Arg-p-nitroanilide
West Nile virus
-
NS3 mutant A164S
0.638
Ac-Leu-Lys-Lys-Arg-p-nitroanilide
West Nile virus
-
NS3 mutant V166L
0.733
Ac-Leu-Lys-Lys-Arg-p-nitroanilide
West Nile virus
-
NS3 mutant I155F
0.778
Ac-Leu-Lys-Lys-Arg-p-nitroanilide
West Nile virus
-
NS3 mutant M156A
0.8
Ac-Leu-Lys-Lys-Arg-p-nitroanilide
West Nile virus
-
NS3 mutant V154L
1.64
Ac-Leu-Lys-Lys-Arg-p-nitroanilide
West Nile virus
-
-
0.72
Ac-Leu-nPhe-Lys-Arg-p-nitroanilide
West Nile virus
-
-
1.79
Ac-Leu-Orn-Lys-Arg-p-nitroanilide
West Nile virus
-
-
1.1
Ac-LQYTKR-4-nitroanilide
West Nile virus
-
37C, pH 9.5
2.35
Ac-Nle-Lys-Lys-Arg-p-nitroanilide
West Nile virus
-
-
2.36
Ac-Nva-Lys-Lys-Arg-p-nitroanilide
West Nile virus
-
-
1.74
Ac-Tbg-Lys-Lys-Arg-p-nitroanilide
West Nile virus
-
-
0.005
Ac-YQEFDEMEECAS
Hepatitis C virus
-
-
0.00333
Ac-YQEFDEMEECASH
Hepatitis C virus
-
-
0.00667
Ac-YQEFDEMEECASHL
Hepatitis C virus
-
-
0.00667
Ac-YQEFDEMEECASHLP
Hepatitis C virus
-
-
0.143
acetyl-DEMEECASHLPYL-(epsilon-NHCOCH3)
Hepatitis C virus
-
presence of inhibitor peptide 4Apep21-34KK
0.21
anthraniloyl-DDIVP-Abu[C(O)-O] AMY(3-NO2)-TW-OH
Hepatitis C virus
-
enzyme from hepatitis C virus genotype 4a, in 1 M MES (pH 5.8), at 23C
0.77
anthraniloyl-DDIVP-Abu[C(O)-O] AMY(3-NO2)-TW-OH
Hepatitis C virus
-
enzyme from hepatitis C virus genotype 1b, in 1 M MES (pH 5.8), at 23C
0.83
anthraniloyl-DDIVP-Abu[C(O)-O] AMY(3-NO2)-TW-OH
Hepatitis C virus
-
enzyme from hepatitis C virus genotype 6a, in 1 M MES (pH 5.8), at 23C
0.85
anthraniloyl-DDIVP-Abu[C(O)-O] AMY(3-NO2)-TW-OH
Hepatitis C virus
-
enzyme from hepatitis C virus genotype 2a, in 1 M MES (pH 5.8), at 23C
1.7
anthraniloyl-DDIVP-Abu[C(O)-O] AMY(3-NO2)-TW-OH
Hepatitis C virus
-
enzyme from hepatitis C virus genotype 5a, in 1 M MES (pH 5.8), at 23C
0.62
anthranilyl-DDIVPAbu[C(O)-O]AMY(3-NO2)TW-OH
Hepatitis C virus
-
mutant full-length protease M485A/V524A/Q562A, at 23C
2.5
anthranilyl-DDIVPAbu[C(O)-O]AMY(3-NO2)TW-OH
Hepatitis C virus
-
single chain NS3 protease domain, at 23C
0.034
Boc-Gly-Arg-Arg-AMC
Yellow fever virus
-
-
0.073
Boc-RVRR-7-amido-4-methylcoumarin
West Nile virus
-
pH 8.0, 18C
0.111
Bz-norleucine-lysine-arginine-arginine-AMC
Yellow fever virus
-
-
0.05
DEMEECSQHLPYI
Hepatitis C virus
-
absence of cofactor
0.243
DEMEECSQHLPYI
Hepatitis C virus
-
presence of cofactor
0.05
DTEDVVCCSMSYTWTGK
Hepatitis C virus
-
protease NS3(1-181)/NS4A
0.167
DTEDVVCCSMSYTWTGK
Hepatitis C virus
-
protease NS3(1-631)/NS4A(1-54)
0.317
DTEDVVCCSMSYTWTGK
Hepatitis C virus
-
protease NS4A(21-32)-GSGS-NS3(3-181)
0.083
EAGDDIVPCSMSYTWTGA-OH
Hepatitis C virus
-
pH 7.5, mutant enzyme K136M/R109Q
0.167
EAGDDIVPCSMSYTWTGA-OH
Hepatitis C virus
-
pH 7.5, mutant enzyme K136M
0.59
EAGDDIVPCSMSYTWTGA-OH
Hepatitis C virus
-
pH 7.5, mutant enzyme R109Q
0.7
EAGDDIVPCSMSYTWTGA-OH
Hepatitis C virus
-
pH 7.5, wild-type enzyme
0.72
EAGDDIVPCSMSYTWTGA-OH
Hepatitis C virus
-
pH 7.5, mutant enzyme K165S/R161S
0.77
EAGDDIVPCSMSYTWTGA-OH
Hepatitis C virus
-
pH 7.5, mutant enzyme R161S
0.78
EAGDDIVPCSMSYTWTGA-OH
Hepatitis C virus
-
pH 7.5, mutant enzyme R155S
0.85
EAGDDIVPCSMSYTWTGA-OH
Hepatitis C virus
-
pH 7.5, mutant enzyme R123T
0.95
EAGDDIVPCSMSYTWTGA-OH
Hepatitis C virus
-
pH 7.5, mutant enzyme K165S
6.08
EAGDDIVPCSMSYTWTGA-OH
Hepatitis C virus
-
pH 7.5, mutant enzyme K165S/R161S; pH 7.5, mutant enzyme R109Q; pH 7.5, mutant enzyme R155S; pH 7.5, mutant enzyme R161S
0.8
EAGDNIVPCSMSYTWTGA-OH
Hepatitis C virus
-
pH 7.5, wild-type enzyme
0.7
EAGNDIVPCSMSYTWTGA-OH
Hepatitis C virus
-
pH 7.5, wild-type enzyme
0.67
EAGNNIVPCSMSYTWTGA-OH
Hepatitis C virus
-
pH 7.5, wild-type enzyme
6.08
EAGNNIVPCSMSYTWTGA-OH
Hepatitis C virus
-
pH 7.5, wild-type enzyme
0.18
EDVV-4-aminobutyryl-CSMSY
Hepatitis C virus
-
absence of cofactor
0.6
EDVV-4-aminobutyryl-CSMSY
Hepatitis C virus
-
presence of cofactor
0.012
Glu-Asp-Val-Val-4-aminobutyryl-Cys-p-nitroanilide
Hepatitis C virus
-
absence of cofactor
0.0065
o-aminobenzoyl (Abz)-L-Asp-L-Asp-L-Ile-L-Val-L-Pro-L-Cys-L-Ser-L-Met-L-Ser-L-Tyr(3-NO2)-L-Thr-NH2
Hepatitis C virus
-
pH 7.3, 30C
43
Pyr-RTKR-7-amido-4-methylcoumarin
West Nile virus
-
pH 8.0, 18C
0.062
Z-RR-7-amido-4-methylcoumarin
West Nile virus
-
pH 8.0, 18C
0.2
Glu-Asp-Val-Val-4-aminobutyryl-Cys-p-nitroanilide
Hepatitis C virus
-
presence of cofactor
additional information
additional information
Hepatitis C virus
-
-
-
kcat/KM VALUE [1/mMs-1]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
160
anthraniloyl-DDIVP-Abu[C(O)-O] AMY(3-NO2)-TW-OH
Hepatitis C virus
-
enzyme from hepatitis C virus genotype 4a, in 1 M MES (pH 5.8), at 23C
7047
230
anthraniloyl-DDIVP-Abu[C(O)-O] AMY(3-NO2)-TW-OH
Hepatitis C virus
-
enzyme from hepatitis C virus genotype 2a, in 1 M MES (pH 5.8), at 23C
7047
260
anthraniloyl-DDIVP-Abu[C(O)-O] AMY(3-NO2)-TW-OH
Hepatitis C virus
-
enzyme from hepatitis C virus genotype 5a, in 1 M MES (pH 5.8), at 23C
7047
300
anthraniloyl-DDIVP-Abu[C(O)-O] AMY(3-NO2)-TW-OH
Hepatitis C virus
-
enzyme from hepatitis C virus genotype 6a, in 1 M MES (pH 5.8), at 23C
7047
370
anthraniloyl-DDIVP-Abu[C(O)-O] AMY(3-NO2)-TW-OH
Hepatitis C virus
-
enzyme from hepatitis C virus genotype 1b, in 1 M MES (pH 5.8), at 23C
7047
150
anthranilyl-DDIVPAbu[C(O)-O]AMY(3-NO2)TW-OH
Hepatitis C virus
-
mutant full-length protease M485A/V524A/Q562A, at 23C
19264
840
anthranilyl-DDIVPAbu[C(O)-O]AMY(3-NO2)TW-OH
Hepatitis C virus
-
single chain NS3 protease domain, at 23C
19264
Ki VALUE [mM]
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.00000009
(1'R,21'S,24'S)-21'-tert-butyl-N-((1R,2R)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethylcyclopropyl)-3',19',22'-trioxo-2',18'-dioxa-4',20',23'-triazaspiro[cyclobutane-1,16'-tetracyclo-[21.2.1.14,7.06,11]heptacosane]-6',8',10'-triene-24'-carboxamide
-
in 50 mM HEPES, pH 7.5, 150 mM NaCl, 15% (v/v) glycerol, 0.15% (w/v) Triton X-100, 10 mM dithiothreitol, and 0.1% (w/v) PEG 8000
0.00000122
(1'R,21'S,24'S)-21'-tert-butyl-N-((1R,2R)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethylcyclopropyl)-3',19',22'-trioxo-2',18'-dioxa-4',20',23'-triazaspiro[cyclohexane-1,16'-tetracyclo-[21.2.1.14,7.06,11]heptacosane]-6',8',10'-triene-24'-carboxamide
-
in 50 mM HEPES, pH 7.5, 150 mM NaCl, 15% (v/v) glycerol, 0.15% (w/v) Triton X-100, 10 mM dithiothreitol, and 0.1% (w/v) PEG 8000
0.00000009
(1'R,21'S,24'S)-21'-tert-butyl-N-((1R,2R)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethylcyclopropyl)-3',19',22'-trioxo-2',18'-dioxa-4',20',23'-triazaspiro[cyclopentane-1,16'-tetracyclo-[21.2.1.14,7.06,11]heptacosane]-6',8',10'-triene-24'-carboxamide
-
in 50 mM HEPES, pH 7.5, 150 mM NaCl, 15% (v/v) glycerol, 0.15% (w/v) Triton X-100, 10 mM dithiothreitol, and 0.1% (w/v) PEG 8000
0.0000001
(1'R,21'S,24'S)-21'-tert-butyl-N-((1R,2R)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethylcyclopropyl)-3',19',22'-trioxo-2',18'-dioxa-4',20',23'-triazaspiro[cyclopropane-1,16'-tetracyclo-[21.2.1.14,7.06,11]heptacosane]-6',8',10'-triene-24'-carboxamide
-
in 50 mM HEPES, pH 7.5, 150 mM NaCl, 15% (v/v) glycerol, 0.15% (w/v) Triton X-100, 10 mM dithiothreitol, and 0.1% (w/v) PEG 8000
0.0012
(10R,13R)-N-(1-[[(2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-10-cyclohexyl-8,11-dioxo-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-13-carboxamide
-
-
0.00039
(10S,13S)-10-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11-oxo-2,7-dioxa-8-thia-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-13-carboxamide 8,8-dioxide
-
-
0.00032
(10S,13S)-10-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-8,11-dioxo-2,7-dioxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-13-carboxamide
-
-
0.00031
(10S,13S)-10-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-8,11-dioxo-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-13-carboxamide
-
-
0.00017
(10S,13S)-10-cyclohexyl-N-(1-[[(2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-8,11-dioxo-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-13-carboxamide
-
-
0.00016
(11R,14R)-N-(1-[[(2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11-cyclohexyl-9,12-dioxo-2-oxa-10,13-diazabicyclo[14.3.1]icosa-1(20),16,18-triene-14-carboxamide
-
-
0.0011
(11S,14S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11-cyclohexyl-9,12-dioxo-1,10,13,17-tetraazabicyclo[14.2.1]nonadeca-16(19),17-diene-14-carboxamide
-
-
0.0000001
(1R,12E,19S,22S)-19-tert-butyl-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-vinylcyclopropyl)-3,17,20-trioxo-2,16-dioxa-4,18,21-triazatetracyclo[19.2.1.14,7.06,11]pentacosa-6,8,10,12-tetraene-22-carboxamide
-
in 50 mM HEPES, pH 7.5, 150 mM NaCl, 15% (v/v) glycerol, 0.15% (w/v) Triton X-100, 10 mM dithiothreitol, and 0.1% (w/v) PEG 8000
0.00000005
(1R,12E,20S,23S)-20-butyl-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-vinylcyclopropyl)-3,18,21-trioxo-2,17-dioxa-4,19,22-triazatetracyclo[20.2.1.14,7.06,11]hexacosa-6,8,10,12-tetraene-23-carboxamide
-
in 50 mM HEPES, pH 7.5, 150 mM NaCl, 15% (v/v) glycerol, 0.15% (w/v) Triton X-100, 10 mM dithiothreitol, and 0.1% (w/v) PEG 8000
0.00000002
(1R,12E,20S,23S)-20-cyclohexyl-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-vinylcyclopropyl)-3,18,21-trioxo-2,17-dioxa-4,19,22-triazatetracyclo[20.2.1.14,7.06,11]hexacosa-6,8,10,12-tetraene-23-carboxamide
-
in 50 mM HEPES, pH 7.5, 150 mM NaCl, 15% (v/v) glycerol, 0.15% (w/v) Triton X-100, 10 mM dithiothreitol, and 0.1% (w/v) PEG 8000
0.00000004
(1R,12E,20S,23S)-20-cyclopentyl-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-vinylcyclopropyl)-3,18,21-trioxo-2,17-dioxa-4,19,22-triazatetracyclo[20.2.1.14,7.06,11]hexacosa-6,8,10,12-tetraene-23-carboxamide
-
in 50 mM HEPES, pH 7.5, 150 mM NaCl, 15% (v/v) glycerol, 0.15% (w/v) Triton X-100, 10 mM dithiothreitol, and 0.1% (w/v) PEG 8000
0.00000004
(1R,12E,20S,23S)-20-tert-butyl-N-((1R,2R)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethylcyclopropyl)-3,18,21-trioxo-2,17-dioxa-4,19,22-triazatetracyclo[20.2.1.14,7.06,11]hexacosa-6,8,10,12-tetraene-23-carboxamide
-
in 50 mM HEPES, pH 7.5, 150 mM NaCl, 15% (v/v) glycerol, 0.15% (w/v) Triton X-100, 10 mM dithiothreitol, and 0.1% (w/v) PEG 8000
0.00000005
(1R,12E,20S,23S)-20-tert-butyl-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-vinylcyclopropyl)-3,18,21-trioxo-2,17-dioxa-4,19,22-triazatetracyclo[20.2.1.14,7.06,11]hexacosa-6,8,10,12-tetraene-23-carboxamide
-
in 50 mM HEPES, pH 7.5, 150 mM NaCl, 15% (v/v) glycerol, 0.15% (w/v) Triton X-100, 10 mM dithiothreitol, and 0.1% (w/v) PEG 8000
0.0000016
(1R,12E,20S,23S)-20-tert-butyl-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-vinylcyclopropyl)-4-methyl-3,18,21-trioxo-2,17-dioxa-4,19,22-triazatricyclo[20.2.1.06,11]pentacosa-6,8,10,12-tetraene-23-carboxamide
-
in 50 mM HEPES, pH 7.5, 150 mM NaCl, 15% (v/v) glycerol, 0.15% (w/v) Triton X-100, 10 mM dithiothreitol, and 0.1% (w/v) PEG 8000
0.00000006
(1R,12E,20S,23S)-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]-carbonyl]-2-vinylcyclopropyl)-20-(1-methylcyclohexyl)-3,18,21-trioxo-2,17-dioxa-4,19,22-triazatetracyclo[20.2.1.14,7.06,11]hexacosa-6,8,10,12-tetraene-23-carboxamide
-
in 50 mM HEPES, pH 7.5, 150 mM NaCl, 15% (v/v) glycerol, 0.15% (w/v) Triton X-100, 10 mM dithiothreitol, and 0.1% (w/v) PEG 8000
0.00000004
(1R,12E,20S,23S)-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]-carbonyl]-2-vinylcyclopropyl)-20-isopropyl-3,18,21-trioxo-2,17-dioxa-4,19,22-triazatetracyclo[20.2.1.14,7.06,11]hexacosa-6,8,10,12-tetraene-23-carboxamide
-
in 50 mM HEPES, pH 7.5, 150 mM NaCl, 15% (v/v) glycerol, 0.15% (w/v) Triton X-100, 10 mM dithiothreitol, and 0.1% (w/v) PEG 8000
0.00000003
(1R,12E,21S,24S)-21-tert-butyl-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-vinylcyclopropyl)-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]heptacosa-6,8,10,12-tetraene-24-carboxamide
-
in 50 mM HEPES, pH 7.5, 150 mM NaCl, 15% (v/v) glycerol, 0.15% (w/v) Triton X-100, 10 mM dithiothreitol, and 0.1% (w/v) PEG 8000
0.00000002
(1R,12E,22S,25S)-22-tert-butyl-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-vinylcyclopropyl)-3,20,23-trioxo-2,19-dioxa-4,21,24-triazatetracyclo[22.2.1.14,7.06,11]octacosa-6,8,10,12-tetraene-25-carboxamide
-
Ki below 0.00000002 mM, in 50 mM HEPES, pH 7.5, 150 mM NaCl, 15% (v/v) glycerol, 0.15% (w/v) Triton X-100, 10 mM dithiothreitol, and 0.1% (w/v) PEG 8000
0.00000045
(1R,20S,23S)-20-tert-butyl-N-((1R,2R)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethylcyclopropyl)-3,18,21-trioxo-2,17-dioxa-4,19,22-triazatetracyclo[20.2.1.14,7.06,11]hexacosa-6,8,10-triene-23-carboxamide
-
in 50 mM HEPES, pH 7.5, 150 mM NaCl, 15% (v/v) glycerol, 0.15% (w/v) Triton X-100, 10 mM dithiothreitol, and 0.1% (w/v) PEG 8000
0.00000005
(1R,20S,23S)-20-tert-butyl-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-vinylcyclopropyl)-3,18,21-trioxo-2,17-dioxa-4,19,22-triazatetracyclo[20.2.1.14,7.06,11]hexacosa-6,8,10-triene-23-carboxamide
-
in 50 mM HEPES, pH 7.5, 150 mM NaCl, 15% (v/v) glycerol, 0.15% (w/v) Triton X-100, 10 mM dithiothreitol, and 0.1% (w/v) PEG 8000
0.0000003
(1R,21S,24S)-21-(tert-butoxymethyl)-N-((1R,2R)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethylcyclopropyl)-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]-heptacosa-6,8,10-triene-24-carboxamide
-
in 50 mM HEPES, pH 7.5, 150 mM NaCl, 15% (v/v) glycerol, 0.15% (w/v) Triton X-100, 10 mM dithiothreitol, and 0.1% (w/v) PEG 8000
0.00000009
(1R,21S,24S)-21-cyclohexyl-N-((1R,2R)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethylcyclopropyl)-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]-heptacosa-6,8,10-triene-24-carboxamide
-
in 50 mM HEPES, pH 7.5, 150 mM NaCl, 15% (v/v) glycerol, 0.15% (w/v) Triton X-100, 10 mM dithiothreitol, and 0.1% (w/v) PEG 8000
0.00000018
(1R,21S,24S)-21-tert-butyl-N-((1R,2R)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethylcyclopropyl)-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]heptacosa-6,8,10-triene-24-carboxamide
-
in 50 mM HEPES, pH 7.5, 150 mM NaCl, 15% (v/v) glycerol, 0.15% (w/v) Triton X-100, 10 mM dithiothreitol, and 0.1% (w/v) PEG 8000
0.00000008
(1R,21S,24S)-N-((1R,2R)-1-[[(cyclopropylsulfonyl)amino]-carbonyl]-2-ethylcyclopropyl)-16,16-dimethyl-21-(1-methylcyclohexyl)-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]heptacosa-6,8,10-triene-24-carboxamide
-
in 50 mM HEPES, pH 7.5, 150 mM NaCl, 15% (v/v) glycerol, 0.15% (w/v) Triton X-100, 10 mM dithiothreitol, and 0.1% (w/v) PEG 8000
0.000016
(1R,2S)-1-[([(1R,2R,4S)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopentyl]carbonyl)amino]-2-ethenylcyclopropanecarboxylic acid
-
-
0.0000013
(1R,2S)-1-[([(1R,4R)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)amino]-2-ethenylcyclopropanecarboxylic acid
-
-
0.0000011
(1R,2S)-1-[([(1R,4R)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)amino]-2-ethenylcyclopropanecarboxylic acid
-
-
0.000023
(1R,2S)-1-[([(1S,4S)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)amino]-2-ethenylcyclopropanecarboxylic acid
-
-
0.000108
(1R,2S)-1-[([(1S,4S)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)amino]-2-ethenylcyclopropanecarboxylic acid
-
-
0.0027
(1R,2S)-1-[[(1R,2R,4S)-2-((S)-1-cyclopentylcarbamoyl-2,2-dimethyl-propylcarbamoyl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopentanecarbonyl]-amino]-2-vinyl-cyclopropanecarboxylic acid
-
-
0.0069
(1R,2S)-1-[[(1R,2R,4S)-2-((S)-1-tert-butylcarbamoyl-2,2-dimethyl-propylcarbamoyl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopentanecarbonyl]-amino]-2-vinyl-cyclopropanecarboxylic acid
-
-
0.000016
(1R,2S)-1-[[(1R,2R,4S)-2-[(S)-1-[((S)-cyclohexyldimethylcarbamoyl-methyl)-carbamoyl]-2,2-dimethylpropylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopentanecarbonyl]-amino]-2-vinyl-cyclopropanecarboxylic acid
-
-
0.000022
(1R,2S)-1-[[(1R,2R,4S)-2-[(S)-1-[((S)-cyclohexylmethylcarbamoyl-methyl)-carbamoyl]-2,2-dimethyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopentanecarbonyl]-amino]-2-vinyl-cyclopropanecarboxylic acid
-
-
0.01
(1R,2S)-1-[[(1R,2R,4S)-2-[(S)-1-[((S)-cyclohexylmethylcarbamoyl-methyl)-methyl-carbamoyl]-2,2-dimethyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopentanecarbonyl]-amino]-2-vinyl-cyclopropanecarboxylic acid
-
-
0.005
(1R,2S)-1-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl](methyl)carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]-2-ethenylcyclopropanecarboxylic acid
-
-
0.000024
(1R,2S)-1-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2-methylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]-2-ethenylcyclopropanecarboxylic acid
-
-
0.000004
(1R,5S)-3-(N-[[(1S)-1-cyclohexyl-2-cyclopropyl-2-oxoethyl]carbamoyl]-3-methyl-L-valyl)-N-[1-(cyclopropylamino)-1,2-dioxohept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
-
pH and temperature not specified in the publication
-
0.000007
(1R,5S)-3-[2(S)-[[[[1-[[[cyclobutyl(methyl)amino]sulfonyl]methyl]cyclohexyl]amino] carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
-
pH and temperature not specified in the publication
0.000014
(1R,5S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
-
pH and temperature not specified in the publication
-
0.000006
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyll]-butyl]-3-[2(S)-[[[[1-[[(dimethylamino)sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
-
pH and temperature not specified in the publication
0.000002
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[(2S)-2-[[[[1-[1(R)-[(dimethylamino)sulfonyl]ethyl]-cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyll-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
-
pH and temperature not specified in the publication
0.000004
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[2(S)-[[[[1-(2-cyclopropyl-1,1-dioxido-5(R)-isothiazolidinyl)cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
-
pH and temperature not specified in the publication
0.0000028
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[2(S)-[[[[1-[[[(2-fluoro-1,1-dimethylethyl)methylamino]sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]-hexane-2(S)-carboxamide
-
pH and temperature not specified in the publication
0.000006
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[2(S)-[[[[1-[[[cyclopropyl(1-methylethyl)amino]-sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
-
pH and temperature not specified in the publication
0.000008
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[2(S)-[[[[1-[[[cyclopropyl(methyl)amino]sulfonyl]-methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
-
pH and temperature not specified in the publication
0.000009
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[2(S)-[[[[1-[[[ethyl(methyl)amino]sulfonyl]methyl]-cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
-
pH and temperature not specified in the publication
0.000008
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[3,3-dimethyl-2(S)-[[[[1-[(4-morpholinylsulfonyl)-methyl]cyclohexyl]amino]carbonyl]amino]-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
-
pH and temperature not specified in the publication
0.000007
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[3,3-dimethyl-2(S)-[[[[1-[[[methyl(1-me5thylethyl)-amino]sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
-
pH and temperature not specified in the publication
0.000011
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-pemtyl]-3-[2(S)-[[[[1-[[[cyclopropyl(methyl)amino]sulfonyl]-methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
-
pH and temperature not specified in the publication
0.000004
(1R,5S)-N-[3-(cyclopropylamino)-1(S)-(2-cyclopropylethyl)-2,3-dioxopropyl]-3-[2(S)-[[[[1-[[[cycloppropyl(methyl)-amino]sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]-hexane-2(S)-carboxamide
-
pH and temperature not specified in the publication
0.000015
(1R,5S)-N-[3-(cyclopropylamino)-1(S)-(cyclopropylmethyl)-2,3-dioxopropyl]-3-[2(S)-[[[[1-[[[cyclopropyl(methyl)-amino]sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]-hexane-2(S)-carboxamide
-
pH and temperature not specified in the publication
0.000014
(1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3-[2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide
-
-
0.00011
(1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide
-
-
0.0001
(1S,5R)-6,6-dichloro-3-[cyclohexyl[[[(1,1-dimethylethyl)amino]carbonyl]amino]acetyl]-N-[1-[1,2-dioxo-2-(2-propenylamino)ethyl]butyl]-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide
-
-
0.000006
(1S,5R)-N-((S)-5-cyclopropyl-1-(cyclopropylamino)-1,2-dioxopentan-3-yl)-3-((S)-2-(3-(1-((N-cyclopropyl-N-methylsulfamoyl)methyl)cyclohexyl)ureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
-
pH and temperature not specified in the publication
0.00036
(1S,5R)-N-(1-amino-5,5-difluoro-1,2-dioxoheptan-3-yl)-3-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
-
-
0.00023
(1S,5R)-N-(1-amino-5,5-difluoro-1,2-dioxohexan-3-yl)-3-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
-
-
0.000065
(1S,5R)-N-(1-amino-6,6,6-trifluoro-1,2-dioxohexan-3-yl)-3-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
-
-
0.0013
(1S,5R)-N-(1-amino-7,7,7-trifluoro-1,2-dioxoheptan-3-yl)-3-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
-
-
0.00016
(1S,5R)-N-(4-amino-1-((1s,3S)-3-hydroxycyclobutyl)-3,4-dioxobutan-2-yl)-3-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
-
-
0.00021
(1S,5R)-N-(4-amino-1-(1-fluorocyclobutyl)-3,4-dioxobutan-2-yl)-3-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
-
-
0.163
(1S,5R)-N-(4-amino-1-(1-hydroxycyclobutyl)-3,4-dioxobutan-2-yl)-3-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
-
-
0.00005
(1S,5R)-N-(4-amino-1-(2,2-difluorocyclopropyl)-3,4-dioxobutan-2-yl)-3-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
-
-
0.000098
(1S,5R)-N-(4-amino-1-(3,3-difluorocyclobutyl)-3,4-dioxobutan-2-yl)-3-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
-
-
0.000014
(1S,5R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
-
-
0.000035
(1S,5R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
-
-
0.00012
(1S,5R)-N-(5-amino-1,1,1-trifluoro-4,5-dioxopentan-3-yl)-3-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
-
-
0.00001
(2-(3-((12-cyclohexyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo-(14.3.1.17,10)henicosa-1(19),16(20),17-triene-9-carbonyl)amino)-2-oxohexanoylamino)acetylamino)phenylacetic acid
-
protease continous assay
0.000044
(2-(3-((12-cyclohexyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo-(14.3.1.17,10)henicosa-1(19),16(20),17-triene-9-carbonyl)amino)-2-oxohexanoylamino)acetylamino)phenylacetic acid tert-butyl ester
-
protease continous assay
0.000016
(2-(3-((12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,-13-diazatricyclo(14.3.1.17,10)henicosa-1(19),16(20),17-triene-9-carbonyl)amino)-2-oxohexanoylamino)acetylamino)phenylacetic acid tert-butyl ester
-
protease continous assay
0.000015
(2-(3-((3-cyclohexyl-2,5-dioxo-12-oxa-1,4-diazatricyclo(11.5.3.016,20)henicosa-13(21),14,16(20)-triene-18-carbonyl)amino)-2-oxohexanoylamino)acetylamino)phenylacetic acid
-
continous enzyme assay
0.00026
(2-(3-((3-cyclohexyl-2,5-dioxo-12-oxa-1,4-diazatricyclo(11.5.3.016,20)henicosa-13(21),14,16(20)-triene-18-carbonyl)amino)-2-oxohexanoylamino)acetylamino)phenylacetic acid tert-butyl ester
-
continous enzyme assay
0.0023
(2R)-([N-[3-([[(9S,12S)-12-cyclohexyl-11,14-dioxo-2,10-dioxa-13-azatricyclo[15.2.2.13,7]docosa-1(19),3(22),4,6,17,20-hexaen-9-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid
-
-
0.00011
(2R)-([N-[3-([[(9S,12S)-12-cyclohexyl-11,14-dioxo-2-oxa-10,13-diazatricyclo[15.2.2.13,7]docosa-1(19),3(22),4,6,17,20-hexaen-9-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid
-
-
0.0003
(2R)-([N-[3-([[(9S,12S)-12-cyclohexyl-11,14-dioxo-2-oxa-10,13-diazatricyclo[16.2.2.13,7]tricosa-1(20),3(23),4,6,18,21-hexaen-9-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid
-
-
0.21
(2R)-2-(acetylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
-
pH 6.5, 30C
0.26
(2R)-2-[(tert-butoxycarbonyl)amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
-
pH 6.5, 30C
0.0000004
(2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-[(7-methoxy-2-phenylquinazolin-4-yl)oxy]-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
-
pH and temperature not specified in the publication
0.0000001
(2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-[(7-methoxy-8-methyl-2-phenylquinazolin-4-yl)oxy]-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
-
pH and temperature not specified in the publication
0.0000002
(2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-[(7-methoxy-8-methyl-2-phenylquinazolin-4-yl)oxy]-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
-
pH and temperature not specified in the publication
0.0000003
(2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-[[2-(4-fluorophenyl)-7-methoxy-8-methylquinazolin-4-yl]oxy]-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
-
pH and temperature not specified in the publication
0.0000006
(2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-[[7-methoxy-2-(4-methoxyphenyl)-8-methylquinazolin-4-yl]oxy]-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
-
pH and temperature not specified in the publication
0.0000009
(2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-[[7-methoxy-8-methyl-2-(6-methylpyridin-2-yl)quinazolin-4-yl]oxy]-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
-
pH and temperature not specified in the publication
0.0000028
(2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-[[7-methoxy-8-methyl-2-(pyridin-3-yl)quinazolin-4-yl]oxy]-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
-
pH and temperature not specified in the publication
0.0000002
(2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-[[7-methoxy-8-methyl-2-(pyridin-4-yl)quinazolin-4-yl]oxy]-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
-
pH and temperature not specified in the publication
0.0000062
(2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-5-methyl-2-[[2-(morpholin-4-yl)quinazolin-4-yl]oxy]-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
-
pH and temperature not specified in the publication
0.0000004
(2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-5-methyl-4,14-dioxo-2-[(2-phenylquinazolin-4-yl)oxy]-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
-
pH and temperature not specified in the publication
0.00000062
(2R,6S,12Z,13aS,14aR,16aS)-6-[[(cyclopentyloxy)carbonyl]amino]-2-([7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy)-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine
-
wild type enzyme, at 23C
0.0000016
(2R,6S,12Z,13aS,14aR,16aS)-6-[[(cyclopentyloxy)carbonyl]amino]-2-([7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy)-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine
-
mutant enzyme M485A/V524A/Q526A, at 23C
0.0000064
(2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-([7-methoxy-2-[2-(methylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy)-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
-
-
0.000024
(2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[(7-methoxyquinolin-4-yl)oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
-
-
0.0000047
(2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[[2-(1H-imidazol-1-yl)-7-methoxyquinolin-4-yl]oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
-
-
0.0000055
(2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[[7-methoxy-2-(1H-pyrazol-1-yl)quinolin-4-yl]oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
-
-
0.0000051
(2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[[7-methoxy-2-(1H-pyrrol-1-yl)quinolin-4-yl]oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
-
-
0.000022
(2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[[7-methoxy-2-(4-methyl-1H-pyrazol-1-yl)quinolin-4-yl]oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
-
-
0.000012
(2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[[7-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
-
-
0.00042
(2S)-([N-[3-([[(10S,13S)-10-cyclohexyl-8,11-dioxo-2,7-dioxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-13-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid
-
-
0.000015
(2S)-([N-[3-([[(3S,18S)-18-cyclohexyl-16,19-dioxo-3,4-dihydro-1H-7,2-(epoxyheptanoiminoethano)isoquinolin-3-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid
-
-
0.00025
(2S)-([N-[3-([[(3S,6S)-6-cyclohexyl-5,8-dioxo-4,7-diazabicyclo[14.3.1]icosa-1(20),16,18-trien-3-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid
-
-
0.00001
(2S)-([N-[3-([[(7R,9S,12S)-12-cyclohexyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-trien-9-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid
-
-
0.00016
(2S)-([N-[3-([[(9S,12S)-12-cyclohexyl-11,14-dioxo-2-oxa-10,13-diazatricyclo[17.2.2.13,7]tetracosa-1(21),3(24),4,6,19,22-hexaen-9-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid
-
-
0.31
(2S)-2-[(tert-butoxycarbonyl)amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
-
pH 6.5, 30C
0.002
(2S)-2-[([(1R,4R)-2-[[(1R)-1-[[(1R)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2-methylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)amino]butanoic acid
-
-
0.002
(2S)-2-[[(2-[[(1S)-1-(methoxycarbonyl)-2-methylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]butanoic acid
-
-
0.00028
(2S)-2-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]butanoic acid
-
-
0.000503
(2S)-2-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]butanoic acid
-
-
0.000523
(2S)-2-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2-methylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]butanoic acid
-
-
0.000038
(2S)-[([[3-([[(6S,8S,9R,10S,13S)-13-cyclohexyl-12,15-dioxo-2,7,23-trioxa-11,14-diazatetracyclo[15.3.1.16,9.18,11]tricosa-1(21),17,19-trien-10-yl]carbonyl]amino)-2-oxohexanoyl]amino]acetyl)amino](phenyl)ethanoic acid
-
-
0.0000012
(2S,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-([7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
-
pH and temperature not specified in the publication
0.0000004
(2S,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-[[2-(3-fluorophenyl)-7-methoxy-8-methylquinazolin-4-yl]oxy]-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
-
pH and temperature not specified in the publication
0.0000004
(2S,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-[[2-(4-fluorophenyl)-7-methoxy-8-methylquinazolin-4-yl]oxy]-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
-
pH and temperature not specified in the publication
0.0000002
(2S,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-[[2-(4-fluorophenyl)-7-methoxyquinazolin-4-yl]oxy]-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
-
pH and temperature not specified in the publication
0.0000012
(2S,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-5-methyl-2-[[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]oxy]-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
-
pH and temperature not specified in the publication
0.0000008
(2S,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-5-methyl-4,14-dioxo-2-([2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinazolin-4-yl]oxy)-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
-
pH and temperature not specified in the publication
0.0000003
(2S,3aR,11Z,12aS,13aR,15aR)-N-(cyclopropylsulfonyl)-2-[(7-methoxy-8-methyl-2-phenylquinazolin-4-yl)oxy]-4,15-dioxo-1,2,3,3a,4,5,6,7,8,9,10,12a,13,14,15,15a-hexadecahydro-13aH-cyclopenta[c]cyclopropa[g][1,6]diazacyclopentadecine-13a-carboxamide
-
pH and temperature not specified in the publication
0.0000002
(2S,3aR,11Z,12aS,13aR,15aR)-N-(cyclopropylsulfonyl)-2-[[2-(4-fluorophenyl)-7-methoxy-8-methylquinazolin-4-yl]oxy]-4,15-dioxo-1,2,3,3a,4,5,6,7,8,9,10,12a,13,14,15,15a-hexadecahydro-13aH-cyclopenta[c]cyclopropa[g][1,6]diazacyclopentadecine-13a-carboxamide
-
pH and temperature not specified in the publication
0.0000014
(2S,4S)-1-((S)-2-((R)-2-cyclohexyl-2-(prop-1-en-2-ylamino)acetamido)-3,3-dimethylbutanoyl)-N-((1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-vinylcyclopropyl)-4-phenylpyrrolidine-2-carboxamide
-
wild type enzyme, at 23C
0.0000028
(2S,4S)-1-((S)-2-((R)-2-cyclohexyl-2-(prop-1-en-2-ylamino)acetamido)-3,3-dimethylbutanoyl)-N-((1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-vinylcyclopropyl)-4-phenylpyrrolidine-2-carboxamide
-
mutant enzyme M485A/V524A/Q526A, at 23C
0.0035
(2S,5S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-2-cyclohexyl-3,11,15-trioxo-1,4,10-triazacyclopentadecane-5-carboxamide
-
-
0.00066
(2S,5S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-2-cyclohexyl-3,11,16-trioxo-1,4,10-triazacyclohexadecane-5-carboxamide
-
-
0.00051
(2S,5S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-2-cyclohexyl-3,11,17-trioxo-1,4,10-triazacycloheptadecane-5-carboxamide
-
-
0.00044
(2S,5S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-2-cyclohexyl-3,11,18-trioxo-1,4,10-triazacyclooctadecane-5-carboxamide
-
-
0.000022
(2S,6S,12Z,13aS,14aR,16aS)-6-[[(cyclopentyloxy)carbonyl]amino]-2-[4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
-
wild type enzyme, at 23C
0.000055
(2S,6S,12Z,13aS,14aR,16aS)-6-[[(cyclopentyloxy)carbonyl]amino]-2-[4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
-
mutant enzyme M485A/V524A/Q526A, at 23C
0.000013
(3R)-2-[2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl]-N-[1-(cyclobutylmethyl)-3-[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino]-2,3-dioxopropyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
-
continuous protease assay
0.00001
(3R)-2-[2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylmethyl)-3-[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino]-2,3-dioxopropyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
-
continuous protease assay
0.000021
(3R)-2-[[(tert-butylcarbamoyl)amino](cyclohexyl)acetyl]-N-[1-(cyclobutylmethyl)-3-[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino]-2,3-dioxopropyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
-
continuous protease assay
0.000019
(3R)-2-[[(tert-butylcarbamoyl)amino](cyclohexyl)acetyl]-N-[1-(cyclopropylmethyl)-3-[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino]-2,3-dioxopropyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
-
continuous protease assay
0.000006
(3S)-3-[(7R,9S,12R)-9-[(1-[[(2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)carbamoyl]-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-trien-12-yl]cyclohexanecarboxylic acid
-
-
0.000021
(3S,18S)-18-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-16,19-dioxo-3,4-dihydro-1H-7,2-(epoxyheptanoiminoethano)isoquinoline-3-carboxamide
-
-
0.00011
(3S,6S)-6-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5,8-dioxo-4,7-diazabicyclo[14.3.1]icosa-1(20),16,18-triene-3-carboxamide
-
-
0.00000015
(4R,6S,9S,16E)-9-tert-butyl-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-vinylcyclopropyl)-2,8,11-trioxo-3,12-dioxa-1,7,10-triazatetracyclo[16.6.2.14,7.022,26]heptacosa-16,18(26),19,21-tetraene-6-carboxamide
-
in 50 mM HEPES, pH 7.5, 150 mM NaCl, 15% (v/v) glycerol, 0.15% (w/v) Triton X-100, 10 mM dithiothreitol, and 0.1% (w/v) PEG 8000
0.0000083
(4R,6S,9S,16E)-9-tert-butyl-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-vinylcyclopropyl)-2,8,11-trioxo-3,12-dioxa-1,7,10-triazatetracyclo[20.3.1.14,7.018,23]heptacosa-16,18,20,22-tetraene-6-carboxamide
-
in 50 mM HEPES, pH 7.5, 150 mM NaCl, 15% (v/v) glycerol, 0.15% (w/v) Triton X-100, 10 mM dithiothreitol, and 0.1% (w/v) PEG 8000
0.00021
(4S,7S,9R)-4-tert-butyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-2,5-dioxo-10,15-dioxa-3,6-diazatricyclo[14.3.1.16,9]henicosa-1(20),16,18-triene-7-carboxamide
-
-
0.000095
(5R,7S,10S)-10-cyclopentyl-N-[(1S)-1-[(cyclopropylamino)(oxo)acetyl]butyl]-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
-
0.000071
(5R,7S,10S)-10-tert-butyl-3,9,12-trioxo-N-[(1S)-1-[oxo(prop-2-en-1-ylamino)acetyl]butyl]-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
-
0.00014
(5R,7S,10S)-10-tert-butyl-3,9,12-trioxo-N-[(1S)-1-[oxo[(1-phenylethyl)amino]acetyl]butyl]-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
-
0.000176
(5R,7S,10S)-10-tert-butyl-3,9,12-trioxo-N-[(1S)-1-[oxo[(pyridin-2-ylmethyl)amino]acetyl]butyl]-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
-
0.00014
(5R,7S,10S)-10-tert-butyl-N-[(1S)-1-[(cyclobutylamino)(oxo)acetyl]butyl]-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
-
0.000078
(5R,7S,10S)-10-tert-butyl-N-[(1S)-1-[(cyclopentylamino)(oxo)acetyl]butyl]-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
-
0.000085
(5R,7S,10S)-10-tert-butyl-N-[(1S)-1-[(cyclopropylamino)(oxo)acetyl]butyl]-3,9,12-trioxo-1,6,7,9,10,11,12,14,15,16,17,18-dodecahydro-5H-2,22:5,8-dimethano-4,13,2,8,11-benzodioxatriazacycloicosine-7(3H)-carboxamide
-
-
0.000057
(5R,7S,10S)-10-tert-butyl-N-[(1S)-1-[(cyclopropylamino)(oxo)acetyl]butyl]-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
-
0.000066
(5R,7S,10S)-10-tert-butyl-N-[(1S)-1-[[(1-methylpropyl)amino](oxo)acetyl]butyl]-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
-
0.000242
(5R,7S,10S)-N-[(1S)-1-[(benzylamino)(oxo)acetyl]butyl]-10-tert-butyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
-
0.00009
(5R,8S,10R)-5-cyclohexyl-N-(1-[[(2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-2-methyl-3,6-dioxo-11,15-dioxa-2,4,7-triazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-8-carboxamide
-
-
0.0016
(5R,8S,10R)-5-cyclohexyl-N-(1-[[(2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-3,6-dioxo-11,15-dioxa-2,4,7-triazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-8-carboxamide
-
-
0.0002
(5R,8S,10R)-5-tert-butyl-N-(1-[[(2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-3,6-dioxo-2,11,15-trioxa-4,7-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-8-carboxamide
-
-
0.00068
(5S,8S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5-cyclohexyl-3,6,14-trioxo-4,7,13-triazabicyclo[14.2.2]icosa-1(18),16,19-triene-8-carboxamide
-
-
0.00045
(5S,8S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5-cyclohexyl-3,6,14-trioxo-4,7,13-triazabicyclo[14.3.1]icosa-1(20),16,18-triene-8-carboxamide
-
-
0.000007
(5S,8S,10R)-5-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-3,6-dioxo-11,16-dioxa-4,7-diazatricyclo[15.3.1.17,10]docosa-1(21),17,19-triene-8-carboxamide
-
-
0.000025
(6R,8S,11R)-11-cyclohexyl-N-(1-[[(2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[14.3.1.16,9]henicosa-1(20),16,18-triene-8-carboxamide
-
-
0.00003
(6R,8S,11S)-11-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[13.3.1.16,9]icosa-1(19),15,17-triene-8-carboxamide
-
-
0.00000014
(6R,8S,11S,18E)-11-tert-butyl-N-((1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-vinylcyclopropyl)-3-methyl-4,10,13-trioxo-5,14-dioxa-3,9,12-triazatricyclo[18.3.1.16,9]pentacosa-1(24),18,20,22-tetraene-8-carboxamide
-
in 50 mM HEPES, pH 7.5, 150 mM NaCl, 15% (v/v) glycerol, 0.15% (w/v) Triton X-100, 10 mM dithiothreitol, and 0.1% (w/v) PEG 8000
0.000037
(6S,11S,20S)-11-tert-butyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[13.3.1.16,9]icosa-1(19),15,17-triene-20-carboxamide
-
-
0.000044
(6S,8S,9R,10S,13S)-13-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-12,15-dioxo-2,7,23-trioxa-11,14-diazatetracyclo[15.3.1.16,9.18,11]tricosa-1(21),17,19-triene-10-carboxamide
-
-
0.00007
(7R,9S)-12-(2,3-dihydro-1H-inden-1-yl)-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
0.000008
(7R,9S,12R)-12-cyclohexyl-N-(1-[[(2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
0.000026
(7R,9S,12R)-12-cyclohexyl-N-(1-[[(2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-15-methyl-11,14-dioxo-2,6-dioxa-10,13,15-triazatricyclo[15.3.1.17,10]docosa-1(21),17,19-triene-9-carboxamide
-
-
0.000032
(7R,9S,12R)-12-cyclohexyl-N-(1-[[(2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-18-methoxy-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
0.00003
(7R,9S,12R)-12-cyclohexyl-N-(1-[[(2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-18-methyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
0.000012
(7R,9S,12R)-12-cyclohexyl-N-(1-[[(2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-19-methyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
0.000008
(7R,9S,12S)-12-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
0.00001
(7R,9S,12S)-12-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11,14-dioxo-2-oxa-6-thia-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
protease continous assay
0.00001
(7R,9S,12S)-12-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11,14-dioxo-2-oxa-6-thia-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
0.000036
(7R,9S,12S)-12-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11,14-dioxo-6-(phenylsulfonyl)-2-oxa-6,10,13-triazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
0.000006
(7R,9S,12S)-12-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
0.00006
(7R,9S,12S)-12-cyclohexyl-N-(1-[[(2-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
0.00006
(7R,9S,12S)-12-cyclohexyl-N-[(1S)-1-[[(2-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl]-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
protease continous assay
0.000008
(7R,9S,12S)-12-cyclohexyl-N-[(1S)-1-[[[4-(dimethylamino)-2,4-dioxo-3-phenylbutyl]amino](oxo)acetyl]butyl]-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
protease continous assay
0.000017
(7R,9S,12S)-12-tert-butyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
0.000019
(7R,9S,12S)-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5,5-dimethyl-12-(1-methylethyl)-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
0.00004
(7R,9S,12S)-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5,5-dimethyl-12-(2-methylpropyl)-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
0.00031
(7R,9S,12S)-N-(1-[[(2-[[(S)-cyano(phenyl)methyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-12-cyclohexyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide
-
-
0.000015
(7S,12S,21S)-12-tert-butyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-21-carboxamide
-
-
0.000071
(R)-4-((S)-2-acetamido-3-carboxypropanamido)-5-((2S,3S)-1-((S)-1-((2S,4R)-4-(benzyloxy)-2-(2-butyl-2-((S)-1-phenylethylcarbamoyl)hydrazinecarbonyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-ylamino)-3-methyl-1-oxopentan-2-ylamino)-5-oxopentanoic acid
-
wild type enzyme, at 23C
-
0.00011
(R)-4-((S)-2-acetamido-3-carboxypropanamido)-5-((2S,3S)-1-((S)-1-((2S,4R)-4-(benzyloxy)-2-(2-butyl-2-((S)-1-phenylethylcarbamoyl)hydrazinecarbonyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-ylamino)-3-methyl-1-oxopentan-2-ylamino)-5-oxopentanoic acid
-
mutant enzyme M485A/V524A/Q526A, at 23C
-
0.0012
(S)-2-[[(1R,2R,4S)-2-[(S)-1-[((S)-cyclohexyl-methoxycarbonyl-methyl)-carbamoyl]-2,2-dimethyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopentanecarbonyl]-amino]-pentanoic acid
-
-
0.0023
(S)-2-[[(1R,2R,4S)-2-[(S)-1-[((S)-cyclohexyl-methoxycarbonyl-methyl)-carbamoyl]-2-methyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopentanecarbonyl]-amino]-pentanoic acid
-
-
0.0017
(S)-2-[[(1R,2R,4S)-2-[(S)-1-[((S)-cyclohexyl-methylcarbamoyl-methyl)-carbamoyl]-2,2-dimethyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopentanecarbonyl]-amino]-pentanoic acid
-
-
0.0066
(S)-2-[[(1R,2R,4S)-2-[(S)-1-[((S)-cyclohexyl-methylcarbamoyl-methyl)-carbamoyl]-2-methyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopentanecarbonyl]-amino]-pentanoic acid
-
-
0.00056
(S)-2-[[(1R,2R,4S)-2-[(S)-1-[((S)-cyclohexylmethylcarbamoyl-methyl)-carbamoyl]-2,2-dimethyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopentanecarbonyl]-amino]-4,4-difluoro-butyric acid
-
-
0.00003
(S)-2-[[(1R,4R)-2-[(R)-1-[((S)-cyclohexyl-methoxycarbonyl-methyl)-carbamoyl]-2,2-dimethyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopent-2-enecarbonyl]-amino]-pentanoic acid
-
-
0.002
(S)-2-[[(1S,4S)-2-[(R)-1-[((S)-cyclohexyl-methoxycarbonylmethyl)-carbamoyl]-2,2-dimethyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopent-2-enecarbonyl]-amino]-pentanoic acid
-
-
0.00013
(Z)-(1R,4R,6S,14R,16R)-12-tert-butoxycarbonylamino-16-(7-methoxy-2-phenyl-quinolin-4-yloxy)-2,13-dioxo-3,12-diaza-tricyclo[12.3.0. 04, 6]heptadec-7-ene-4-carboxylic acid
-
-
0.000006
(Z)-(1R,4R,6S,15R,17R)-13-amino-17-(7-methoxy-2-phenyl-quinolin-4-yloxy)-2,14-dioxo-3,13-diaza-tricyclo[13.3.0.04,6]octadec-7-ene-4-carboxylic acid
-
-
0.000031
(Z)-(1R,4R,6S,15R,17R)-13-tert-butoxycarbonylamino-17-(7-methoxy-2-phenyl-quinolin-4-yloxy)-2,14-dioxo-3,13-diaza-tricyclo[13.3.0.04,6]octadec-7-ene-4-carboxylic acid
-
-
0.000044
(Z)-(1R,4R,6S,15R,17R)-17-(7-methoxy-2-phenyl-quinolin-4-yloxy)-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxylic acid
-
-
0.00026
(Z)-(1R,4R,6S,15R,17S)-17-(7-methoxy-2-phenyl-quinolin-4-yloxy)-2,14-dioxo-3,13-diaza-tricyclo-[13.3.0.04,6]octadec-7-ene-4-carboxylic acid
-
-
0.00012
(Z)-(1R,4R,6S,16R,18R)-14-amino-18-(7-methoxy-2-phenyl-quinolin-4-yloxy)-2,15-dioxo-3,14-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
-
-
0.00071
(Z)-(1R,4R,6S,16R,18R)-14-tert-butoxycarbonylamino-18-(7-methoxy-2-phenyl-quinolin-4-yloxy)-2,15-dioxo-3,14-diaza-tricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
-
-
0.000015
(Z)-(1R,4R,6S,17R) and (1S,4R,6S,17S)-13-amino-17-(7-methoxy-2-phenyl-quinolin-4-yloxy)-2,14-dioxo-3,13-diaza-tricyclo[13.3.0.04,6]octadeca-7,15-diene-4-carboxylic acid
-
-
0.01
(Z)-(1R,4R,6S,17R,19R)-15-amino-19-(7-methoxy-2-phenyl-quinolin-4-yloxy)-2,16-dioxo-3,15-diaza-tricyclo[15.3.0.04,6]icos-7-ene-4-carboxylic acid
-
-
0.01
(Z)-(1R,4R,6S,17R,19R)-15-tert-butoxycarbonylamino-19-(7-methoxy-2-phenyl-quinolin-4-yloxy)-2,16-dioxo-3,15-diaza-tricyclo[15.3.0.04,6]icos-7-ene-4-carboxylic acid
-
-
0.00011
(Z)-(1R,4R,6S,18R) and (1S,4R,6S,18S)-14-amino-18-(7-methoxy-2-phenyl-quinolin-4-yloxy)-2,15-dioxo-3,14-diaza-tricyclo[14.3.0.04,6]nonadeca-7,16-diene-4-carboxylic acid
-
-
0.00009
1,1-dimethylethyl [1-cyclohexyl-2-[(1S,5R)-6,6-dichloro-2(S)-[[[1-[1,2-dioxo-2-(2-propenylamino) ethyl]butyl]-amino]carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate
-
-
0.00002
1,1-dimethylethyl [2-[(1S,5R)-2(S)-[[[1-(2-amino-1,2-dioxoethyl)butyl]amino]carbonyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1(S)-cyclohexyl-2-oxoethyl]-carbamate
-
-
0.000015
1,1-dimethylethyl[1-cyclohexyl-2-[(1S,5R)-6,6-dichloro-2(S)-[[[1-[2-[[2-[[2-(dimethylamino)-2-oxo-1(S)-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoethyl]-butyl]amino]carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate
-
-
0.000007
1,1-dimethylethyl[2-[(1S,5R)-6,6-dichloro-2(S)-[[ [1-(cyclopropyl-methyl)-3-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-2,3-dioxopropyl]-amino]carbonyl]-3-azabicyclo[3.1.0]-hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate
-
-
0.000009
1,1-dimethylethyl[2-[(1S,5R)-6,6-dichloro-2(S)-[[1-(cyclobutylmethyl)-3-[[2-[[2-(dimethylamino)-2-oxo-1(S)-phenylethyl]amino]-2-oxomethyl]amino]-2,3-dioxopropylamino]carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]-1(S)-cyclohexyl-2-oxomethyl]carbamate
-
-
0.26
1,10-phenanthroline
-
-
0.0002
1-([1-[(1,2-diphenylhydrazino)carbonyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-D-prolyl]amino)-2-ethenylcyclopropanecarboxylic acid
-
with Ac-Asp-Glu-Lys(TAMRA)-Glu-Glu-AbuPSI[COO]-Ala-Ser-Lys(QSY-7)-amide as substrate
0.0003
1-([1-[(1,2-diphenylhydrazino)carbonyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-D-prolyl]amino)-2-ethenylcyclopropanecarboxylic acid
-
with Ac-Asp-Glu-Glu(EDANS)-Glu-Glu-AlgPSI[COO]-Ala-Ser-Lys(DABCYL)-amide as substrate
0.000052
1-aminocyclopropane-1-carboxylic acid ketoacid
-
at pH 6.0
0.00019
1-aminocyclopropane-1-carboxylic acid ketoacid
-
at pH 6.0 and 100 mM NaCl
0.00182
1-aminocyclopropane-1-carboxylic acid ketoacid
-
at pH 8.0 and 100 mM NaCl
0.00377
1-aminocyclopropane-1-carboxylic acid ketoacid
-
at pH 8.0
0.00037
1-aminocyclopropane-1-carboxylic acid ketotetrazole
-
at pH 6.0
0.00107
1-aminocyclopropane-1-carboxylic acid ketotetrazole
-
at pH 6.0 and 100 mM NaCl
0.00227
1-aminocyclopropane-1-carboxylic acid ketotetrazole
-
at pH 8.0 and 100 mM NaCl
0.00562
1-aminocyclopropane-1-carboxylic acid ketotetrazole
-
at pH 8.0
0.00149
1-aminocyclopropane-1-carboxylic acid pentafluoroethyl ketone
-
at pH 6.0
0.00168
1-aminocyclopropane-1-carboxylic acid pentafluoroethyl ketone
-
at pH 8.0 and 100 mM NaCl
0.0032
1-aminocyclopropane-1-carboxylic acid pentafluoroethyl ketone
-
at pH 6.0 and 100 mM NaCl
0.0041
1-aminocyclopropane-1-carboxylic acid pentafluoroethyl ketone
-
at pH 8.0
0.0000062
1-aminocyclopropanecarboxylic acid
-
at pH 6.0
0.000025
1-aminocyclopropanecarboxylic acid
-
at pH 6.0 and 100 mM NaCl
0.0002
1-aminocyclopropanecarboxylic acid
-
at pH 8.0 and 100 mM NaCl
0.00032
1-aminocyclopropanecarboxylic acid
-
at pH 8.0
0.000006
12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo(14.3.1.17,10)henicosa-1(19),16(20),17-triene-9-carboxylic acid ((((1-(dimethylcarbamoylphenylmethyl)carbamoyl)-methyl)aminooxalyl)butyl)amide
-
protease continous assay
0.000015
12-tert-butyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo(14.3.1.17,10)henicosa-1(19),16(20),17-triene-9-carboxylic acid ((((1-(dimethylcarbamoylphenylmethyl)carbamoyl)methyl)aminooxalyl)butyl)amide
-
protease continous assay
0.000017
12-tert-butyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo(14.3.1.17,10)henicosa-1(19),16(20),17-triene-9-carboxylic acid ((((1-(dimethylcarbamoylphenylmethyl)carbamoyl)methyl)-aminooxalyl)butyl)amide
-
protease continous assay
0.000065
2,2,2-trifluoro-1,1-dimethylethyl[2-[(1S,5R)-2(S)-[[[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]amino]-carbonyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1(S)-cyclohexyl-2-oxoethyl]carbamate
-
-
0.0008
2-(4-[3-[1-Carboxy-2-(4-hydroxy-3,5-diiodo-phenyl)-ethylcarbamoyloxy]-propoxy]-benzoyl)-benzoic acid
-
pH 6.5, 30C
0.001
2-(4-[3-[1-tert-Butoxycarbonyl-2-(4-hydroxy-3,5-diiodo-phenyl)-ethylcarbamoyloxy]-propoxy]-benzoyl)-benzoic acid tert-butyl ester
-
pH 6.5, 30C
0.03
3,4-dichloroisocoumarin
-
-
0.14
3-(4-hydroxy-3,5-diiodophenyl)-2-phenylpropanoic acid
-
pH 6.5, 30C
0.1
3-(4-hydroxy-3,5-diiodophenyl)-3-phenylpropanoic acid
-
pH 6.5, 30C
0.08
3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
-
pH 6.5, 30C
0.000021
3-cyclohexyl-2,5-dioxo-12-oxa-1,4-diazatricyclo(11.5.3.016,20)-henicosa-13(21),14,16(20)-triene-18-carboxylic acid ((((1-(dimethylcarbamoylphenylmethyl)carbamoyl)methyl)aminooxalyl)butyl)amide
-
continous enzyme assay
0.0034
3-[(2R,5S,8S)-8-[(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)carbamoyl]-5-cyclohexyl-3,6,14,18-tetraoxo-1,4,7,13-tetraazacyclooctadecan-2-yl]propanoic acid
-
-
0.0043
3-[(3S,6R,17S)-17-[(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)carbamoyl]-3-cyclohexyl-2,5,8,11-tetraoxo-1,4,7,12-tetraazacycloheptadecan-6-yl]propanoic acid
-
-
0.0185
3-[2-(2-Benzyloxycarbonylamino-3-methyl-pentanoylamino)-4-methyl-pentanoylamino]-5,5-difluoro-2-oxo-pentanoic acid
-
pH 7.5
0.017
3-[2-(2-tert-Butoxycarbonylamino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-5,5-difluoro-2-oxo-pentanoic acid
-
pH 7.5
0.000004
3-[2-(2-[2-[2-(2-Acetylamino-3-carboxy-propionylamino)-4-carboxy-butyrylamino]-3,3-diphenyl-propionylamino]-4-carboxy-butyrylamino)-3-cyclohexyl-propionylamino]-5,5-difluoro-2-oxo-pentanoic acid
-
pH 7.5
0.00003
3-[2-(3-tert-butyl-ureido)-2-indan-2-yl-acetyl]-6,6-dichloro-3-aza-bicyclo[3.1.0]hexane-2-carboxylic acid(2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethyl)-amide
-
-
0.000007
3-[2-(3-tert-butyl-ureido)-3,3-dimethyl-butyryl]-6,6-dichloro-3-aza-bicyclo[3.1.0]hexane-2-carboxylic acid(2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethyl)-amide
-
-
0.0046
3-[2-[2-(2-Acetylamino-3,3-diphenyl-propionylamino)-4-tert-butoxycarbonyl-butyrylamino]-3-cyclohexyl-propionylamino]-5,5-difluoro-2-oxo-pentanoic acid
-
pH 7.5
0.45
4-(2-aminoethyl)-benzenesulfonyl fluoride
-
-
0.0021
4-(2-[2-[2-(2-tert-Butoxycarbonylamino-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-4,4-difluoro-but-2-enoylamino]-ethyl)-3-chloro-benzoic acid
-
wild-type enzyme
0.0023
4-(2-[2-[2-(2-tert-Butoxycarbonylamino-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-4,4-difluoro-but-2-enoylamino]-ethyl)-3-chloro-benzoic acid
-
mutant enzyme K136R
0.004
4-(2-[2-[2-(2-tert-Butoxycarbonylamino-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-4,4-difluoro-but-2-enoylamino]-ethyl)-3-chloro-benzoic acid
-
mutant enzyme K136M
0.0006
4-(2-[2-[2-(2-tert-Butoxycarbonylamino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-4,4-difluoro-but-2-enoylamino]-ethyl)-3-chloro-benzoic acid
-
wild-type enzyme
0.0009
4-(2-[2-[2-(2-tert-Butoxycarbonylamino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-4,4-difluoro-but-2-enoylamino]-ethyl)-3-chloro-benzoic acid
-
mutant enzyme K136R
0.0013
4-(2-[2-[2-(2-tert-Butoxycarbonylamino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-4,4-difluoro-but-2-enoylamino]-ethyl)-3-chloro-benzoic acid
-
mutant enzyme K136M
0.18
4-(4-hydroxy-3,5-diiodophenyl)butanoic acid
-
pH 6.5, 30C
1.89
4-(amidinophenyl)-methanesulfonyl fluoride
-
-
0.6
4-hydroxy-3,5-diiodobenzoic acid
-
pH 6.5, 30C
0.0073
4-tert-Butoxycarbonylamino-4-(1-[1-[2-(2-chloro-phenyl)-ethylcarbamoyl]-3,3-difluoro-propenylcarbamoyl]-3-methyl-butylcarbamoyl)-butyric acid
-
wild-type enzyme
0.0083
4-tert-Butoxycarbonylamino-4-(1-[1-[2-(2-chloro-phenyl)-ethylcarbamoyl]-3,3-difluoro-propenylcarbamoyl]-3-methyl-butylcarbamoyl)-butyric acid
-
mutant enzyme K136R
0.0135
4-tert-Butoxycarbonylamino-4-(1-[1-[2-(2-chloro-phenyl)-ethylcarbamoyl]-3,3-difluoro-propenylcarbamoyl]-3-methyl-butylcarbamoyl)-butyric acid
-
mutant enzyme K136M
0.000019
4-[(7R,9S,12R)-9-[(1-[[(2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)carbamoyl]-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-trien-12-yl]cyclohexanecarboxylic acid
-
-
0.00003
4-[(7R,9S,12R)-9-[(1-[[(2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)carbamoyl]-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-trien-12-yl]cyclohexanecarboxylic acid
-
-
0.06
4MeBu-P-norvaline-(CO)-GMSYS-NH2
-
pH 6.5, 30C
-
0.000007
5-cyclohexyl-3,6-dioxo-11,16-dioxa-4,7-diazatricyclo(15.3.1.17,10)-docosa-1(21),17,19-triene-8-carboxylic acid ((((1-(dimethylcarbamoylphenylmethyl)carbamoyl)methyl)aminooxalyl)butyl)amide
-
protease continous assay
0.000015
6,6-dichloro-3-[2-cyclohexyl-2-(3-cyclohexyl-ureido)-acetyl]-3-aza-bicyclo[3.1.0]hexane-2-carboxylic acid(2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethyl)-amide
-
-
0.0038
Ac-Asp-Glu-Leu-Ile-Cha-Cys-OH
-
for Ac-Asp-Glu-Glu(EDANS)-Glu-Glu-AlgPSI[COO]-Ala-Ser-Lys(DABCYL)-amide
0.004
Ac-Asp-Glu-Leu-Ile-Cha-Cys-OH
-
for AAc-Asp-Glu-Lys(TAMRA)-Glu-Glu-AbuPSI[COO]-Ala-Ser-Lys(QSY-7)-amide
0.04
Ac-DdIVPC-OH
-
-
-
0.0075
Ac-DvIVPC-OH
-
-
-
0.3
acetyl-3,3-diphenylalanine-beta-cyclohexylalanine-Cys-OH
-
-
-
0.009
acetyl-Asp-(D-Glu)-(allyloxycarbonyl-L-lysine)-(L-cyclohexylalanine)-Cys-OH
-
pH 6.5, 30C, strain 1a
0.01
acetyl-Asp-(D-Glu)-(allyloxycarbonyl-L-lysine)-(L-cyclohexylalanine)-Cys-OH
-
pH 6.5, 30C, strain 1a, mutant enzyme D168Q; pH 6.5, 30C, strain 1b; pH 6.5, 30C, strain 3a, mutant enzyme T123R/Q168D
0.013
acetyl-Asp-(D-Glu)-(allyloxycarbonyl-L-lysine)-(L-cyclohexylalanine)-Cys-OH
-
pH 6.5, 30C, strain 3a, mutant enzyme T123R
0.04
acetyl-Asp-(D-Glu)-(allyloxycarbonyl-L-lysine)-(L-cyclohexylalanine)-Cys-OH
-
pH 6.5, 30C, strain 3a
0.045
acetyl-Asp-(D-Glu)-(allyloxycarbonyl-L-lysine)-(L-cyclohexylalanine)-Cys-OH
-
pH 6.5, 30C, strain 3a, mutant enzyme Q168D
0.05
acetyl-Asp-(D-Glu)-(allyloxycarbonyl-L-lysine)-(L-cyclohexylalanine)-Cys-OH
-
pH 6.5, 30C, strain 1a, mutant enzyme R123T
0.055
acetyl-Asp-(D-Glu)-(allyloxycarbonyl-L-lysine)-(L-cyclohexylalanine)-Cys-OH
-
pH 6.5, 30C, strain 1a, mutant enzyme R123T/D168Q
0.0028
acetyl-Asp-(D-Glu)-Leu-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 3a, mutant enzyme T123R/Q168D
0.0032
acetyl-Asp-(D-Glu)-Leu-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 3a, mutant enzyme T123R
0.0045
acetyl-Asp-(D-Glu)-Leu-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 1a
0.005
acetyl-Asp-(D-Glu)-Leu-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 1a, mutant enzyme D168Q
0.0052
acetyl-Asp-(D-Glu)-Leu-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 1b
0.02
acetyl-Asp-(D-Glu)-Leu-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 1a, mutant enzyme R123T; pH 6.5, 30C, strain 3a, mutant enzyme Q168D
0.025
acetyl-Asp-(D-Glu)-Leu-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 1a, mutant enzyme R123T/D168Q; pH 6.5, 30C, strain 3a
0.0018
acetyl-Asp-(D-Glu)-Tyr-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 1a
0.0027
acetyl-Asp-(D-Glu)-Tyr-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 1b
0.0029
acetyl-Asp-(D-Glu)-Tyr-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 3a, mutant enzyme T123R
0.0033
acetyl-Asp-(D-Glu)-Tyr-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 1a, mutant enzyme D168Q
0.004
acetyl-Asp-(D-Glu)-Tyr-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 3a, mutant enzyme T123R/Q168D
0.01
acetyl-Asp-(D-Glu)-Tyr-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 3a
0.013
acetyl-Asp-(D-Glu)-Tyr-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 3a, mutant enzyme Q168D
0.015
acetyl-Asp-(D-Glu)-Tyr-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 1a, mutant enzyme R123T
0.018
acetyl-Asp-(D-Glu)-Tyr-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 1a, mutant enzyme R123T/D168Q
0.016
acetyl-Asp-(D-glutamine)-Leu-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 1a
0.02
acetyl-Asp-(D-glutamine)-Leu-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 1b; pH 6.5, 30C, strain 3a, mutant enzyme Q168D
0.021
acetyl-Asp-(D-glutamine)-Leu-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 1a, mutant enzyme D168Q; pH 6.5, 30C, strain 1a, mutant enzyme R123T
0.023
acetyl-Asp-(D-glutamine)-Leu-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 1a, mutant enzyme R123T/D168Q; pH 6.5, 30C, strain 3a
0.024
acetyl-Asp-(D-glutamine)-Leu-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 3a, mutant enzyme T12 3R
0.025
acetyl-Asp-(D-glutamine)-Leu-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 3a, mutant enzyme T123R/Q168D
0.0012
acetyl-Asp-(D-homoglutamate)-Leu-Ile-L-cyclohexylalanine-Cys
-
pH 6.5, 30C, strain 1a
0.0011
acetyl-Asp-(D-homoglutamate)-Leu-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 1b
0.0022
acetyl-Asp-(D-homoglutamate)-Leu-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 1a, mutant enzyme D168Q
0.0026
acetyl-Asp-(D-homoglutamate)-Leu-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 3a, mutant enzyme T123R/Q168D
0.0032
acetyl-Asp-(D-homoglutamate)-Leu-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 3a, mutant enzyme T123R
0.024
acetyl-Asp-(D-homoglutamate)-Leu-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 3a, mutant enzyme Q168D
0.025
acetyl-Asp-(D-homoglutamate)-Leu-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 1a, mutant enzyme R123T
0.03
acetyl-Asp-(D-homoglutamate)-Leu-Ile-L-cyclohexylalanine-Cys-OH
-
pH 6.5, 30C, strain 1a, mutant enzyme R123T/D168Q; pH 6.5, 30C, strain 3a
0.018
acetyl-Asp-(D-homoleucine)-Leu-Ile-(L-cyclohexylalanine)-Cys-OH
-
pH 6.5, 30C, strain 1a, mutant enzyme R123T; pH 6.5, 30C, strain 3a, mutant enzyme Q168D
0.019
acetyl-Asp-(D-homoleucine)-Leu-Ile-(L-cyclohexylalanine)-Cys-OH
-
pH 6.5, 30C, strain 1a; pH 6.5, 30C, strain 3a, mutant enzyme T123R
0.02
acetyl-Asp-(D-homoleucine)-Leu-Ile-(L-cyclohexylalanine)-Cys-OH
-
pH 6.5, 30C, strain 1a, mutant enzyme R123T/D168Q
0.021
acetyl-Asp-(D-homoleucine)-Leu-Ile-(L-cyclohexylalanine)-Cys-OH
-
pH 6.5, 30C, strain 3a
0.022
acetyl-Asp-(D-homoleucine)-Leu-Ile-(L-cyclohexylalanine)-Cys-OH
-
pH 6.5, 30C, strain 3a, mutant enzyme T123R/Q168D
0.023
acetyl-Asp-(D-homoleucine)-Leu-Ile-(L-cyclohexylalanine)-Cys-OH
-
pH 6.5, 30C, strain 1b
0.024
acetyl-Asp-(D-homoleucine)-Leu-Ile-(L-cyclohexylalanine)-Cys-OH
-
pH 6.5, 30C, strain 1a, mutant enzyme D168Q
0.000012
acetyl-Asp-D-(gamma-carboxyglutamic acid)-Leu-Ile-(beta-cyclohexylalanine)-Cys
-
pH 7.5, 30C
0.000041
acetyl-Asp-Glu-(3,3-diphenylalanine)-Glu-(beta-cyclohexylalanine)-Cys
-
pH 7.5, 30C
0.00022
acetyl-Asp-Glu-(3,3-diphenylalanine)-Ile-(beta-cyclohexylalanine)-Cys
-
pH 7.5, 30C
0.000055
acetyl-Asp-Glu-(diaminopropionyl)-(N-beta-dansyl)-Glu-(beta-cyclohexylalanine)-Cys-OH
-
pH 7.5, mutant enzyme R161S
0.00006
acetyl-Asp-Glu-(diaminopropionyl)-(N-beta-dansyl)-Glu-(beta-cyclohexylalanine)-Cys-OH
-
pH 7.5, mutant enzyme R123T
0.0000615
acetyl-Asp-Glu-(diaminopropionyl)-(N-beta-dansyl)-Glu-(beta-cyclohexylalanine)-Cys-OH
-
pH 7.5, mutant enzyme K165S
0.000079
acetyl-Asp-Glu-(diaminopropionyl)-(N-beta-dansyl)-Glu-(beta-cyclohexylalanine)-Cys-OH
-
pH 7.5, mutant enzyme R109Q
0.000129
acetyl-Asp-Glu-(diaminopropionyl)-(N-beta-dansyl)-Glu-(beta-cyclohexylalanine)-Cys-OH
-
pH 7.5, mutant enzyme R155S
0.000179
acetyl-Asp-Glu-(diaminopropionyl)-(N-beta-dansyl)-Glu-(beta-cyclohexylalanine)-Cys-OH
-
pH 7.5, mutant enzyme K165S/R1161S
0.00031
acetyl-Asp-Glu-(diaminopropionyl)-(N-beta-dansyl)-Glu-(beta-cyclohexylalanine)-Cys-OH
-
pH 7.5, mutant enzyme K136M/R109Q
0.000313
acetyl-Asp-Glu-(diaminopropionyl)-(N-beta-dansyl)-Glu-(beta-cyclohexylalanine)-Cys-OH
-
pH 7.5, mutant enzyme K136M
0.04
acetyl-Asp-Glu-(diaminopropionyl)-(N-beta-dansyl)-Glu-(beta-cyclohexylalanine)-Cys-OH
-
pH 7.5, wild-type enzyme
0.00005
acetyl-Asp-Glu-3,3-diphenylalanine-Glu-beta-cyclohexylalanine-Cys-OH
-
-
0.046
acetyl-Asp-Glu-3,3-diphenylalanine-Ile-beta-cyclohexylalanine-OH
-
-
0.00049
acetyl-Asp-Glu-Leu-Glu-(beta-cyclohexylalanine)-Cys
-
pH 7.5, 30C
0.0026
acetyl-Asp-Glu-Leu-Glu-beta-cyclohexylalanine-Cys-OH
-
-
0.00006
acetyl-Asp-Glu-Leu-Ile-beta-cyclohexylalanine-Cys-OH
-
-
0.00035
acetyl-Asp-Glu-Met-Glu-beta-cyclohexylalanine-Cys-OH
-
-
0.00036
acetyl-Asp-Glu-Met-Glu-Glu-Cys
-
pH 7.5, 30C
0.001
acetyl-Asp-Glu-Met-Glu-Glu-Cys-OH
-
-
0.000013
acetyl-Asp-Glu-Val-Val-Pro-boroAlg-OH
-
-
0.17
acetyl-DEMEEC-OH
-
pH 6.5, 30C, strain 1b
0.2
acetyl-DEMEEC-OH
-
pH 6.5, 30C, strain 1a
0.21
acetyl-DEMEEC-OH
-
pH 6.5, 30C, strain 3a
0.4
acetyl-DYPSPC-OH
-
pH 6.5, 30C, strain 1b
0.43
acetyl-DYPSPC-OH
-
pH 6.5, 30C, strain 3a
0.45
acetyl-DYPSPC-OH
-
pH 6.5, 30C, strain 1a
0.46
acetyl-ECTTPC-OH
-
pH 6.5, 30C, strain 1b
0.5
acetyl-ECTTPC-OH
-
pH 6.5, 30C, strain 1a
0.51
acetyl-ECTTPC-OH
-
pH 6.5, 30C, strain 3a
0.1
acetyl-EDVVCC-OH
-
pH 6.5, 30C, strain 3a
0.13
acetyl-EDVVCC-OH
-
pH 6.5, 30C, strain 1a
0.15
acetyl-EDVVCC-OH
-
pH 6.5, 30C, strain 1b
0.000096
acetyl-EEVVP-norvaline-(CO)-GMSYS-NH2
-
pH 6.5, 30C
-
0.0016
acetyl-EEVVP-norvaline-(CO)-phenethylamide
-
pH 6.5, 30C
-
0.0014
acetyl-Glu-3,3-diphenylalanine-Glu-beta-cyclohexyalanine-Cys-OH
-
-
0.46
acetyl-Glu-beta-cyclohexylalanine-Cys-OH
-
-
5
acetyl-Glu-Leu-Glu-beta-cyclohexylalanine-Cys-OH
-
-
0.08
acetyl-P-norvaline-(CO)-GMSYS-NH2
-
pH 6.5, 30C
-
0.04
acetyl-QSVVCC-OH
-
pH 6.5, 30C, strain 1a; pH 6.5, 30C, strain 3a
0.05
acetyl-QSVVCC-OH
-
pH 6.5, 30C, strain 1b
0.00059
Alpha1-antitrypsin
-
pH 8.0, 18C
-
0.00001761
Aprotinin
-
-
0.000026
Aprotinin
-
pH 8.0, 18C
0.000049
benzyl 1-([[(2S)-1-[(1R,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]amino)cyclohexanecarboxylate
-
pH and temperature not specified in the publication
-
0.000001
BILN 2061
-
enzyme from hepatitis C virus genotype 4a, in 1 M MES (pH 5.8), at 23C
0.0000014
BILN 2061
-
enzyme from hepatitis C virus genotype 1b, in 1 M MES (pH 5.8), at 23C
0.000003
BILN 2061
-
enzyme from hepatitis C virus genotype 5a, in 1 M MES (pH 5.8), at 23C
0.0000037
BILN 2061
-
enzyme from hepatitis C virus genotype 6a, in 1 M MES (pH 5.8), at 23C
0.000015
BILN 2061
-
enzyme from hepatitis C virus genotype 2a, in 1 M MES (pH 5.8), at 23C
0.000019
BILN 2061
-
wild-type, pH 7.8, 30C
0.0012
BILN 2061
-
or above, mutant A156T, pH 7.8, 30C; or above, mutant A156V, pH 7.8, 30C
0.00000038
BILN-2061
-
-
0.000003
BILN-2061
-
NS3/4A genotype 1b
0.0000081
BILN-2061
-
NS3/4A genotype 1a
0.00007
BILN-2061
-
NS3/4A genotype 2a
0.00061
BILN-2061
-
NS3/4A genotype 2b
0.00075
Bz-Ala-Lys-Arg-Arg-H
-
-
0.00085
Bz-Arg-Arg-H
-
-
0.0004
Bz-Lys-Arg-Arg-H
-
-
0.0009
Bz-Nle-Ala-Arg-Arg-H
-
-
0.125
Bz-Nle-Lys-Ala-Arg-H
-
-
0.03315
Bz-Nle-Lys-Arg-Ala-H
-
-
0.0004
Bz-Nle-Lys-Arg-Arg-H
-
-
0.0112
Bz-Nle-Lys-Arg-Lys-H
-
-
0.062
Bz-Nle-Lys-Arg-Phe-H
-
-
0.00005
Bz-Nle-Lys-Lys-Arg-B(OH)2
-
-
0.0012
Bz-Nle-Lys-Lys-Arg-H
-
-
0.0156
Bz-Nle-Lys-Phe-Arg-H
-
-
0.0015
Bz-Nle-Phe-Arg-Arg-H
-
-
0.00025
Bz-Phe-Lys-Arg-Arg-H
-
-
0.71
chymostatin
-
-
0.00000019
cyclopropanesulfonic acid [(Z)-(1R,4R,6S,15R,17R)-13-amino-17-(7-methoxy-2-phenyl-quinolin-4-yloxy)-2,14-dioxo-3,13-diaza-tricyclo[13.3.0.04,6]octadec-7-ene-4-carbonyl]-amide
-
-
0.0000000091
cyclopropanesulfonic acid [(Z)-(1R,4R,6S,15R,17R)-17-(7-methoxy-2-phenyl-quinolin-4-yloxy)-13-methyl-2,14-dioxo-3,13-diaza-tricyclo[13.3.0.04,6]octadec-7-ene-4-carbonyl]-amide
-
-
0.0000044
cyclopropanesulfonic acid [(Z)-(1R,4R,6S,15R,17S)-17-(7-methoxy-2-phenyl-quinolin-4-yloxy)-2,14-dioxo-3,13-diaza-tricyclo[13.3.0. 04,6]octadec-7-ene-4-carbonyl]-amide
-
-
0.071
DDIVPC-OH
-
-
0.000002
deca-D-Arg-NH2
-
pH 8.0, 18C
0.000001
dodeka-D-Arg-NH2
-
pH 8.0, 18C
0.007
EDTA
-
-
1.6
EGTA
-
-
0.000124
fluorescein-L-Asp-D-Glu-L-Leu-L-Ile-L-beta-cyclohexylalanine-L-Cys-L-Pro-L-beta-cyclohexylalanine-L-Asp-L-Leu-NH2
-
pH 7.3, 30C
0.000041
hepta-D-Arg-NH2
-
pH 8.0, 18C
0.000478
hexa-D-Arg-NH2
-
pH 8.0, 18C
0.26
iodoacetamide
-
-
0.000098
L-aminobutyric acid carboxylic acid
-
at pH 6.0
0.00025
L-aminobutyric acid carboxylic acid
-
at pH 6.0 and 100 mM NaCl
0.00125
L-aminobutyric acid carboxylic acid
-
at pH 8.0 and 100 mM NaCl
0.00275
L-aminobutyric acid carboxylic acid
-
at pH 8.0
0.000051
L-aminobutyric acid pentafluoroethyl ketone
-
at pH 8.0 and 100 mM NaCl
0.000084
L-aminobutyric acid pentafluoroethyl ketone
-
at pH 6.0
0.00015
L-aminobutyric acid pentafluoroethyl ketone
-
at pH 6.0 and 100 mM NaCl
0.00082
L-aminobutyric acid pentafluoroethyl ketone
-
at pH 8.0
0.000016
L-norvaline carboxylic acid
-
at pH 6.0
0.000031
L-norvaline carboxylic acid
-
at pH 6.0 and 100 mM NaCl
0.000245
L-norvaline carboxylic acid
-
at pH 8.0 and 100 mM NaCl
0.00045
L-norvaline carboxylic acid
-
at pH 8.0
0.000134
L-norvaline ketotetrazole
-
at pH 6.0
0.00046
L-norvaline ketotetrazole
-
at pH 6.0 and 100 mM NaCl
0.00174
L-norvaline ketotetrazole
-
at pH 8.0
0.00188
L-norvaline ketotetrazole
-
at pH 8.0 and 100 mM NaCl
0.000117
L-norvaline pentafluoroethyl ketone
-
at pH 8.0 and 100 mM NaCl
0.000145
L-norvaline pentafluoroethyl ketone
-
at pH 8.0
0.00015
L-norvaline pentafluoroethyl ketone
-
at pH 6.0
0.00035
L-norvaline pentafluoroethyl ketone
-
at pH 6.0 and 100 mM NaCl
0.00000006
MK-7009
-
NS3/4A genotype 1b
0.00000007
MK-7009
-
NS3/4A genotype 1a
0.000001
MK-7009
-
NS3/4A genotype 2a
0.000041
N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-([2-[2-(dimethylamino)-1,3-thiazol-4-yl]pyridin-4-yl]oxy)-L-prolinamide
-
wild type enzyme, at 23C
0.000078
N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-([2-[2-(dimethylamino)-1,3-thiazol-4-yl]pyridin-4-yl]oxy)-L-prolinamide
-
mutant enzyme M485A/V524A/Q526A, at 23C
0.0000095
N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide
-
wild type enzyme, at 23C
0.000015
N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide
-
mutant enzyme M485A/V524A/Q526A, at 23C
0.000102
N-([(1R,4R)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2-methylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)-L-norvaline
-
-
0.00256
N-([(1S,4S)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2-methylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)-L-norvaline
-
-
1.17
N-acetyl-L-alpha-aspartyl-L-alpha-glutamyl-beta-phenyl-L-phenylalanyl-L-alpha-glutamyl-3-cyclohexyl-L-alanine
-
-
0.00000074
N-acetyl-L-alpha-aspartyl-N-[(1S)-2-[[(1S)-1-([(2S,4R)-2-[[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]carbamoyl]-4-[(2-phenylquinolin-4-yl)oxy]pyrrolidin-1-yl]carbonyl)-2,2-dimethylpropyl]amino]-1-cyclohexyl-2-oxoethyl]-D-alpha-glutamine
-
-
0.03
N-tosyl-Phe chloromethyl ketone
-
-
0.000067
N-[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]-L-norvaline
-
-
0.000003
N-[(2S)-2-[(N-acetyl-L-alpha-aspartyl-D-alpha-glutamyl)amino]-2-cyclohexylacetyl]-L-valyl-(4S)-4-(naphthalen-2-ylmethoxy)-D-prolyl-D-norvaline
-
-
0.00025
N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(methylideneamino)cyclopropyl]-4-hydroxy-L-prolinamide
-
wild type enzyme, at 23C
0.00041
N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(methylideneamino)cyclopropyl]-4-hydroxy-L-prolinamide
-
mutant enzyme M485A/V524A/Q526A, at 23C
0.002
N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4S)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-phenyl-L-prolinamide
-
wild type enzyme, at 23C
0.0036
N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4S)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-phenyl-L-prolinamide
-
mutant enzyme M485A/V524A/Q526A, at 23C
0.0000004
N-[17-[2-(4-isopropylthiazole-2-yl)-7-methoxy-8-methylquinolin-4-yloxy]-13-methyl-2,14-dioxo-3,13-diazatricyclo [13.3.0.0(4,6)]octadec-7-ene-4-carbonyl](cyclopropyl)sulfonamide
-
-
0.0000005
N-[17-[2-(4-isopropylthiazole-2-yl)-7-methoxy-8-methylquinolin-4-yloxy]-13-methyl-2,14-dioxo-3,13-diazatricyclo [13.3.0.0(4,6)]octadec-7-ene-4-carbonyl](cyclopropyl)sulfonamide
-
-
0.0000002
N-[17-[8-chloro-2-(4-isopropylthiazol-2-yl)-7-methoxy-quinolin-4-yloxy]-2,14-dioxo-3,15-diazatricyclo [13.3.0.0]octadec-7-ene-4-carbonyl]-(1-methylcyclo propyl)-(1-methylcyclopropyl)sulfonamide
-
-
0.15
Nalpha-p-tosyl-Lys chloromethyl ketone
-
-
-
0.000006
nona-D-Arg-NH2
-
pH 8.0, 18C
0.000017
octa-D-Arg-NH2
-
pH 8.0, 18C
0.6
phenylmethanesulfonyl fluoride
-
-
0.000014
SCH 503034
-
-
0.000021
SCH-503034
-
NS3/4A genotype 1a; NS3/4A genotype 2b
0.000025
SCH-503034
-
NS3/4A genotype 2a
0.000028
SCH-503034
-
NS3/4A genotype 1b
0.02
SCH217135
-
pH 6.5, 30C
0.048
SCH217142
-
pH 6.5, 30C
0.06
SCH217942
-
pH 6.5, 30C
0.000091
Suc-L-Asp-D-Glu-L-Leu-L-Ile-L-(cyclohexyl)Ala-1-aminocyclopropane-1-carboxylic acid
-
pH 7.5, 30C
0.000098
Suc-L-Asp-D-Glu-L-Leu-L-Ile-L-(cyclohexyl)Ala-1-aminocyclopropane-1-carboxylic acid-COOH
-
pH 7.5, 30C
0.0000038
Suc-L-Asp-D-Glu-L-Leu-L-Ile-L-(cyclohexyl)Ala-1-aminocyclopropane-1-carboxylic acid-NHSO2Ph
-
pH 7.5, 30C
0.0000136
Suc-L-Asp-D-Glu-L-Leu-L-Ile-L-(cyclohexyl)Ala-L-2-aminovaleryl-NHSO2Ph
-
pH 7.5, 30C
0.000081
Suc-L-Asp-D-Glu-L-Leu-L-Ile-L-(cyclohexyl)Ala-L-aminobutyryl ((S)-2-amino-butanoyl)-C2F5
-
pH 7.5, 30C
0.000028
Suc-L-Asp-D-Glu-L-Leu-L-Ile-L-(cyclohexyl)Ala-L-Cys-OH
-
pH 7.5, 30C
0.000041
tert-butyl (1-cyclohexyl-2-[(3R)-3-[(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]pentyl)carbamoyl]-2-azabicyclo[2.2.1]hept-2-yl]-2-oxoethyl)carbamate
-
continuous protease assay
0.000027
tert-butyl (1-[[(3R)-3-([1-(2-cyclobutylethyl)-3-[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino]-2,3-dioxopropyl]carbamoyl)-2-azabicyclo[2.2.1]hept-2-yl]carbonyl]-2,2-dimethylpropyl)carbamate
-
continuous protease assay
0.000019
tert-butyl (1-[[(3R)-3-([1-(cyclopropylmethyl)-3-[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino]-2,3-dioxopropyl]carbamoyl)-2-azabicyclo[2.2.1]hept-2-yl]carbonyl]-2,2-dimethylpropyl)carbamate
-
continuous protease assay
0.002
tert-butyl (1R,2S)-1-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]-2-ethenylcyclopropanecarboxylate
-
-
0.002
tert-butyl (1R,2S)-1-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]-2-ethenylcyclopropanecarboxylate
-
-
0.00026
tert-butyl (2S)-([N-[3-([[(3S,18S)-18-cyclohexyl-16,19-dioxo-3,4-dihydro-1H-7,2-(epoxyheptanoiminoethano)isoquinolin-3-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoate
-
-
0.0023
tert-butyl (2S)-([N-[3-([[(3S,6S)-6-cyclohexyl-5,8-dioxo-4,7-diazabicyclo[14.3.1]icosa-1(20),16,18-trien-3-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoate
-
-
0.000044
tert-butyl (2S)-([N-[3-([[(7R,9S,12S)-12-cyclohexyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-trien-9-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoate
-
-
0.000038
tert-butyl (2S)-[([[3-([[(6S,8S,9R,10S,13S)-13-cyclohexyl-12,15-dioxo-2,7,23-trioxa-11,14-diazatetracyclo[15.3.1.16,9.18,11]tricosa-1(21),17,19-trien-10-yl]carbonyl]amino)-2-oxohexanoyl]amino]acetyl)amino](phenyl)ethanoate
-
-
0.00004
tert-butyl [1-([(3R)-3-[(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]-4-methylpentyl)carbamoyl]-2-azabicyclo[2.2.1]hept-2-yl]carbonyl)-2,2-dimethylpropyl]carbamate
-
continuous protease assay
0.000081
tert-butyl [1-([(3R)-3-[(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]pentyl)carbamoyl]-2-azabicyclo[2.2.1]hept-2-yl]carbonyl)-2,2-dimethylpropyl]carbamate
-
continuous protease assay
0.00002
tert-butyl [1-cyclohexyl-2-[(3R)-3-([1-(cyclopropylmethyl)-3-[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino]-2,3-dioxopropyl]carbamoyl)-2-azabicyclo[2.2.1]hept-2-yl]-2-oxoethyl]carbamate
-
continuous protease assay
0.000051
tert-butyl [2-[(3R)-3-([1-(cyclobutylmethyl)-3-[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino]-2,3-dioxopropyl]carbamoyl)-2-azabicyclo[2.2.1]hept-2-yl]-1-cyclohexyl-2-oxoethyl]carbamate
-
continuous protease assay
0.007
trans-1,2-cyclohexanediamine-N,N,N',N'-tetraacetic acid
-
-
0.000001
undeca-D-Arg-NH2
-
pH 8.0, 18C
0.00000005
vaniprevir
-
in 50 mM HEPES, pH 7.5, 150 mM NaCl, 15% (v/v) glycerol, 0.15% (w/v) Triton X-100, 10 mM dithiothreitol, and 0.1% (w/v) PEG 8000
0.000042
VX-950
-
NS3/4A genotype 2b
0.000044
VX-950
-
-
0.000054
VX-950
-
NS3/4A genotype 2a
0.000093
VX-950
-
NS3/4A genotype 1b
0.0001
VX-950
-
wild-type, pH 7.8, 30C
0.00013
VX-950
-
NS3/4A genotype 1a
0.0099
VX-950
-
mutant A156T, pH 7.8, 30C
0.033
VX-950
-
mutant A156V, pH 7.8, 30C
0.0039
[(2R,5S,8S)-8-[(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)carbamoyl]-5-cyclohexyl-3,6,14,18-tetraoxo-1,4,7,13-tetraazacyclooctadecan-2-yl]acetic acid
-
-
0.005
[(3S,6R,17S)-17-[(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)carbamoyl]-3-cyclohexyl-2,5,8,11-tetraoxo-1,4,7,12-tetraazacycloheptadecan-6-yl]acetic acid
-
-
0.00000007
[(Z)-(1R,4R,6S,15R,17R)-4-cyclopropanesulfonylaminocarbonyl-17-(7-methoxy-2-phenyl-quinolin-4-yloxy)-2,14-dioxo-3,13-diaza-tricyclo[13.3.0.04,6]octadec-7-en-13-yl]-carbamic acid tert-butyl ester
-
-
0.000009
[1-[2-(2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethylcarbamoyl)-6,6-dichloro-3-aza-bicyclo[3.1.0]hexane-3-carbonyl]-2,2-dimethyl-propyl]-carbamic acid tert-butyl ester
-
-
0.00006
[2-[2-(2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethylcarbamoyl)-6,6-dichloro-3-aza-bicyclo[3.1.0]hex-3-yl]-1-indan-2-yl-2-oxo-ethyl]-carbamic acid tert-butyl ester
-
-
0.0000014
MK-7009
-
NS3/4A genotype 2b
additional information
additional information
-
peptidyl-alphe ketoamides with Ki-values ranging from 0.17 nM to 5.6 mM
-
IC50 VALUE [mM]
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.000008
((1R,2S)-1-((2S,4S)-1-((S)-2-(((cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoyl)-4-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)pyrrolidine-2-carboxamido)-2-vinylcyclopropyl)(ethyl)phosphinic acid
Hepatitis C virus
-
pH and temperature not specified in the publication
0.000006
((1R,2S)-1-((2S,4S)-1-((S)-2-(((cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoyl)-4-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)pyrrolidine-2-carboxamido)-2-vinylcyclopropyl)(methyl)phosphinic acid
Hepatitis C virus
-
pH and temperature not specified in the publication
0.01855
(-)-epicatechin-3-O-gallate
Hepatitis C virus
-
-
0.07006
(-)-epicatechin-3-O-gallate
Hepatitis C virus
-
methylation of the inhibitor
0.00851
(-)-epigallocatechin-3-O-gallate
Hepatitis C virus
-
-
0.04455
(-)-epigallocatechin-3-O-gallate
Hepatitis C virus
-
acetylation of the inhibitor
0.05647
(-)-epigallocatechin-3-O-gallate
Hepatitis C virus
-
methylation of the inhibitor
0.0000029
(11Z,13aR,15aS)-N-(cyclopropylsulfonyl)-2-([7-methoxy-8-methyl-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl]oxy)-15-oxo-1,2,3,7,8,9,10,12a,13,14,15,15a-dodecahydrocyclopropa[f]pyrrolo[1,2-b][1,2,5]thiadiazacyclotetradecine-13a(6H)-carboxamide 5,5-dioxide
Hepatitis C virus
-
pH not specified in the publication, temperature not specified in the publication
0.0000004
(11Z,13aR,15aS)-N-(cyclopropylsulfonyl)-2-([7-methoxy-8-methyl-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl]oxy)-5,15-dioxo-1,2,3,5,6,7,8,9,10,12a,13,14,15,15a-tetradecahydro-13aH-cyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclotetradecine-13a-carboxamide
Hepatitis C virus
-
pH not specified in the publication, temperature not specified in the publication
0.0004
(1R)-1-([(4R)-1-[(2S)-2-[(tert-butoxycarbonyl)amino]heptanoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolyl]amino)-2-ethenylcyclopropanecarboxylic acid
Hepatitis C virus
-
-
0.13
(1R)-2-but-3-en-1-yl-1-[[(4R)-1-[(2S)-2-[(tert-butoxycarbonyl)amino]hept-6-enoyl]-4-(quinolin-4-yloxy)-L-prolyl]amino]cyclopropanecarboxylic acid
Hepatitis C virus
-
-
0.000001
(2R,6R,12Z,13aR,14S,16aS)-6-[[(cyclopentyloxy)carbonyl]amino]-2-([7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy)-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14-carboxylic acid
Hepatitis C virus
-
pH and temperature not specified in the publication
0.000077
(2R,6S,10E,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-5,16-dioxo-1,2,3,6,7,8,9,12,13,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
Hepatitis C virus
-
-
0.004
(2R,6S,10E,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-5,16-dioxo-2-(quinolin-4-yloxy)-1,2,3,6,7,8,9,12,13,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
Hepatitis C virus
-
-
0.00024
(2R,6S,10Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-5,16-dioxo-1,2,3,6,7,8,9,12,13,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
Hepatitis C virus
-
-
0.0001
(2R,6S,12Z,14aR,16aS)-2-[(8-chloro-2-ethoxyquinolin-4-yl)oxy]-6-[[(cyclopentyloxy)carbonyl]amino]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
Hepatitis C virus
-
-
0.000011
(2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
Hepatitis C virus
-
-
0.0001
(2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[[(4-fluoro-1,3-dihydro-2H-isoindol-2-yl)carbonyl]oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
Hepatitis C virus
-
-
0.0001
(2R,6S,12Z,14aR,16aS)-6-[[(cyclopentyloxy)carbonyl]amino]-2-[(5-ethoxythieno[3,2-b]pyridin-7-yl)oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
Hepatitis C virus
-
-
0.000028
(2R,6S,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-5,16-dioxohexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
Hepatitis C virus
-
-
0.053
(3R,12S,16R,17aS)-12-[(tert-butoxycarbonyl)amino]-16-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-1,13-dioxohexadecahydro-1H-pyrrolo[1,2-a][1,4]diazacyclopentadecine-3-carboxylic acid
Hepatitis C virus
-
-
0.0075
(3S,12S,16R,17aS)-12-[(tert-butoxycarbonyl)amino]-16-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-1,13-dioxohexadecahydro-1H-pyrrolo[1,2-a][1,4]diazacyclopentadecine-3-carboxylic acid
Hepatitis C virus
-
-
0.0000021
(4R,6S,7Z,15S,17S)-17-[((7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl)oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0-4,6-]heptadec-7-ene-4-carboxamide
Hepatitis C virus
-
pH not specified in the publication, temperature not specified in the publication
0.0000013
(4R,6S,7Z,15S,17S)-17-[((8-chloro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl)oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0-4,6-]heptadec-7-ene-4-carboxamide
Hepatitis C virus
-
pH not specified in the publication, temperature not specified in the publication
0.000006
(R)-((1R,2S)-1-((2S,4R)-1-((S)-2-(((cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoyl)-4-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)pyrrolidine-2-carboxamido)-2-vinylcyclopropyl)(4-methoxybenzyl)phosphinic acid
Hepatitis C virus
-
pH and temperature not specified in the publication
0.000086
(R)-((1R,2S)-1-((2S,4R)-1-((S)-2-(((cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoyl)-4-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)pyrrolidine-2-carboxamido)-2-vinylcyclopropyl)(isopropyl)phosphinic acid
Hepatitis C virus
-
pH and temperature not specified in the publication
0.000044
(R)-((1S,2S)-1-((2S,4R)-1-((S)-2-(((cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoyl)-4-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)pyrrolidine-2-carboxamido)-2-vinylcyclopropyl)(phenyl)phosphinic acid
Hepatitis C virus
-
pH and temperature not specified in the publication
0.000006
(R)-(4-chlorobenzyl)((1R,2S)-1-((2S,4R)-1-((S)-2-(((cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoyl)-4-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)pyrrolidine-2-carboxamido)-2-vinylcyclopropyl)phosphinic acid
Hepatitis C virus
-
pH and temperature not specified in the publication
0.000009
(R)-benzyl((1R,2S)-1-((2S,4R)-1-((S)-2-(((cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoyl)-4-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)pyrrolidine-2-carboxamido)-2-vinylcyclopropyl)phosphinic acid
Hepatitis C virus
-
pH and temperature not specified in the publication
0.000008
(R)-butyl((1R,2S)-1-((2S,4R)-1-((S)-2-(((cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoyl)-4-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)pyrrolidine-2-carboxamido)-2-vinylcyclopropyl)phosphinic acid
Hepatitis C virus
-
pH and temperature not specified in the publication
0.000003
(S)-((2R,6R,13aS,14S,16aS,Z)-6-(((cyclopentyloxy)carbonyl)amino)-2-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-14-yl)(2-methoxybenzyl)phosphinic acid
Hepatitis C virus
-
pH and temperature not specified in the publication
0.000003
(S)-(2-chlorobenzyl)((2R,6R,13aS,14S,16aS)-6-(((cyclopentyloxy)carbonyl)amino)-2-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-14-yl)phosphinic acid
Hepatitis C virus
-
pH and temperature not specified in the publication
0.000001
(S)-(2-chlorobenzyl)((2R,6R,13aS,14S,16aS,Z)-6-(((cyclopentyloxy)carbonyl)amino)-2-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-14-yl)phosphinic acid
Hepatitis C virus
-
pH and temperature not specified in the publication
0.000006
(S)-benzyl((2R,6R,13aS,14S,16aS)-6-(((cyclopentyloxy)carbonyl)amino)-2-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-14-yl)phosphinic acid
Hepatitis C virus
-
pH and temperature not specified in the publication
0.000003
(S)-benzyl((2R,6R,13aS,14S,16aS,Z)-6-(((cyclopentyloxy)carbonyl)amino)-2-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-14-yl)phosphinic acid
Hepatitis C virus
-
pH and temperature not specified in the publication
0.78
1,10-phenanthroline
Hepatitis C virus
O92972
inhibition of NS2/3 auto-cleavage of mutant H1175A in the absence of NS4A peptide
0.79
1,10-phenanthroline
Hepatitis C virus
O92972
inhibition of NS2/3 auto-cleavage of the wild-type in the absence of NS4A peptide
0.89
1,10-phenanthroline
Hepatitis C virus
O92972
inhibition of NS2/3 auto-cleavage of the wild-type in the presence of NS4A peptide
1.56
1,10-phenanthroline
Hepatitis C virus
O92972
inhibition of mutant H1175A NS3 protease activity in the absence of NS4A peptide
1.9
1,10-phenanthroline
Hepatitis C virus
O92972
inhibition of wild-type NS3 protease activity in the absence of NS4A peptide
2.1
1,10-phenanthroline
Hepatitis C virus
O92972
inhibition of mutant H1175A NS3 protease activity in the presence of NS4A peptide
5.9
1,10-phenanthroline
Hepatitis C virus
O92972
inhibition of wild-type NS3 protease activity in the presence of NS4A peptide
0.00064
1,3,4-tri-O-galloyl-beta-D-glucose
Hepatitis C virus
-
-
0.00642
1,3,6-tri-O-galloyl-beta-D-glucose
Hepatitis C virus
-
-
0.0097
1-([1-[2-(2-acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-benzyloxy-pyrrolidine-2-carbonyl]-amino)-2-vinyl-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.0097 mM
0.33
1-([1-[2-(2-acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-benzyloxy-pyrrolidine-2-carbonyl]-amino)-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.33 mM
1
1-([1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-hydroxy-pyrrolidine-2-carbonyl]-amino)-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: above 1 mM
0.08
1-([1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-phenoxy-pyrrolidine-2-carbonyl]-amino)-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: above 0.08 mM
0.006
1-([4-(3'-Acetylamino-biphenyl-3-yloxy)-1-[2-(2-acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-pyrrolidine-2-carbonyl]-amino)-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.006 mM
0.00064
1-O-(3-O-galloylgalloyl)-2,3,4-tri-O-galloyl-beta-D-glucose
Hepatitis C virus
-
-
0.025
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(2-bromo-phenoxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.025 mM
0.2
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(2-thiophen-3-yl-pyridin-3-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: above 0.2 mM
0.006
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(3'-nitro-biphenyl-3-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.006 mM
0.05
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(3-bromo-phenoxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.05 mM
0.032
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(3-morpholin-4-yl-phenoxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.032 mM
0.2
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(4'-methoxy-biphenyl-2-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: above 0.2 mM
0.035
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(4'-methoxy-biphenyl-4-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.035 mM
0.025
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(4-bromo-phenoxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.025 mM
0.04
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(4-bromo-phenylsulfanyl)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.04 mM
0.05
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(4-chloro-phenoxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.05 mM
0.1
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(4-fluoro-phenoxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.1 mM
0.01
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(4-iodo-phenoxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.01 mM
0.1
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(5-chloro-quinolin-8-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.1 mM
0.016
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(6-methoxy-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.016 mM
0.002
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(7-chloro-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.002 mM
0.0008
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(7-methoxy-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.0008 mM
0.006
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(7-trifluoromethyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.006 mM
0.009
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(7-trifluoromethyl-quinolin-4-ylsulfanyl)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.009 mM
0.02
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(benzothiazol-2-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.02 mM
0.02
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(benzothiazol-2-ylsulfanyl)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.02 mM
0.2
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(biphenyl-2-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: above 0.2 mM
0.006
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(biphenyl-3-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.006 mM
0.035
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(biphenyl-4-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.035 mM
0.008
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(isoquinolin-1-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.008 mM
0.004
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(isoquinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.004 mM
0.31
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(naphthalen-1-ylmethoxy)-pyrrolidine-2-carbonyl]-amino]-2,2-diethyl-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.31 mM
0.0048
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(naphthalen-1-ylmethoxy)-pyrrolidine-2-carbonyl]-amino]-2-ethyl-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.0048 mM
0.00063
1-[[1-[2-(2-acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(naphthalen-1-ylmethoxy)-pyrrolidine-2-carbonyl]-amino]-2-vinyl-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.00063 mM
0.014
1-[[1-[2-(2-acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(naphthalen-1-ylmethoxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.014 mM
0.19
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(pyridin-3-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.19 mM
0.17
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(pyridin-4-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.17 mM
0.005
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.005 mM
0.25
1-[[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(quinolin-8-yloxy)-pyrrolidine-2-carbonyl]-amino]-cyclopropanecarboxylic acid
Hepatitis C virus
-
IC50: 0.25 mM
0.2
2'-[1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-5-(1-carboxy-cyclopropylcarbamoyl)-pyrrolidin-3-yloxy]-biphenyl-4-carboxylic acid
Hepatitis C virus
-
IC50: above 0.2 mM
0.1
2-(2-[2-[2-(4-Carboxy-2-isobutoxycarbonylamino-butyrylamino)-4-methyl-pentanoylamino]-3-mercapto-propionylamino]-ethyl)-benzoic acid
Hepatitis C virus
-
IC50: above 0.1 mM
0.054
2-(2-[2-[2-(4-Carboxy-2-isobutoxycarbonylamino-butyrylamino)-4-methyl-pentanoylamino]-3-mercapto-propionylamino]-ethyl)-benzoic acid methyl ester
Hepatitis C virus
-
IC50: 0.054 mM
0.0017
2-(4-Butyl-phenyl)-2-phenylsulfanyl-indan-1,3-dione
Hepatitis C virus
-
IC50: 0.0017 mM
0.53
2-([1-[2-(2-acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-benzyloxy-pyrrolidine-2-carbonyl]-amino)-pentanoic acid
Hepatitis C virus
-
IC50: 0.53 mM
0.14
2-([1-[2-(2-acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-benzyloxy-pyrrolidine-2-carbony]}-amino)-3-mercapto-propionic acid
Hepatitis C virus
-
IC50: 0.14 mM
0.0036
2-Methyl-2-phenylsulfanyl-indan-1,3-dione
Hepatitis C virus
-
IC50: 0.0036 mM
0.00062
2-O-(4-O-galloylgalloyl)-1,3,4-tri-O-galloyl-beta-D-glucose
Hepatitis C virus
-
-
0.012
2-Phenyl-2-phenylsulfanyl-indan-1,3-dione
Hepatitis C virus
-
IC50: 0.012 mM
0.0031
2-Phenylsulfanyl-2-p-tolyl-indan-1,3-dione
Hepatitis C virus
-
IC50: 0.0031 mM
0.3
2-[1-[1-(1-Carbamoyl-3-methyl-butylcarbamoyl)-2-carboxy-ethylcarbamoyl]-2-cyclohexyl-ethylcarbamoyl]-cyclohexanecarboxylic acid
Hepatitis C virus
-
IC50: 0.015 mM, wild-type enzyme, IC50: 0.017 mM, mutant enzyme K136R, IC50: 0.027 mM, mutant enzyme K136M, IC50: 0.05 mM, mutant enzyme K136S, IC50: above 0.3 mM, mutant enzyme R109Q
0.032
2-[1-[2-Carboxy-1-(1-ethylcarbamoyl-3-methyl-butylcarbamoyl)-ethylcarbamoyl]-2-cyclohexyl-ethylcarbamoyl]-cyclohexanecarboxylic acid
Hepatitis C virus
-
IC50: 0.032 mM