Information on EC 3.4.23.16 - HIV-1 retropepsin

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The expected taxonomic range for this enzyme is: Human immunodeficiency virus 1

EC NUMBER
COMMENTARY
3.4.23.16
-
RECOMMENDED NAME
GeneOntology No.
HIV-1 retropepsin
-
REACTION
REACTION DIAGRAM
COMMENTARY
ORGANISM
UNIPROT
LITERATURE
specific for a P1 residue that is hydrophobic, and P1' variable, but often Pro
show the reaction diagram
the kinetic mechanism of HIV-1 protease is random, in which products bind to form both binary and ternary enzyme-product complexes, depending on the substrate used
-
specific for a P1 residue that is hydrophobic, and P1' variable, but often Pro
show the reaction diagram
proteolysis mechanism whereby only one active site Asp is initially protonated. The steps of this mechanism are: asymmetric binding of the substrate, hydration of the peptidic carbonyl by an active site water, proton translocation between the active site Asp residue simultaneously with carbonyl hydration
-
specific for a P1 residue that is hydrophobic, and P1' variable, but often Pro
show the reaction diagram
flap closing and conformational change mechanism induced by substrate binding in HIV-1 aspartic protease, flap conformations in the active site during the catalytic cycle, molecular dynamic simulations, overview
-
specific for a P1 residue that is hydrophobic, and P1' variable, but often Pro
show the reaction diagram
the active site structure and conformational flexibility
-
REACTION TYPE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
hydrolysis of peptide bond
-
-
-
-
SYNONYMS
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
CRF01_AE protease
Q90VT5
-
Gag protease
-
-
-
-
HIV aspartyl protease
-
-
-
-
HIV-1 aspartyl protease
-
-
HIV-1 protease
-
-
-
-
HIV-1 protease
-
pentamutated protease: subtype B PMPR, K55C, D25N
HIV-1 protease
P03367
-
HIV-1 protease
P03369
-
HIV-1 protease
Q7SSE3
-
HIV-1 protease
Human immunodeficiency virus 1 IIIb
-
-
-
HIV-1 proteinase
-
-
-
-
human immunodeficiency virus 1 retropepsin
-
-
human immunodeficiency virus type 1 protease
-
-
-
-
retropepsin
-
-
-
-
retroproteinase
-
-
-
-
human immunodeficiency virus type I protease
-
-
additional information
-
the enzyme belongs to the peptidase family A2
CAS REGISTRY NUMBER
COMMENTARY
144114-21-6
-
ORGANISM
COMMENTARY
LITERATURE
UNIPROT
SEQUENCE DB
SOURCE
Gag polyprotein
SwissProt
Manually annotated by BRENDA team
South African subtype C
-
-
Manually annotated by BRENDA team
strain HXB2, produced in Escherichia coli
-
-
Manually annotated by BRENDA team
subtypes B and F1
-
-
Manually annotated by BRENDA team
the enzyme is chemically synthesized
-
-
Manually annotated by BRENDA team
Human immunodeficiency virus 1 HXB2
strain HXB2, produced in Escherichia coli
-
-
Manually annotated by BRENDA team
Human immunodeficiency virus 1 IIIb
-
-
-
Manually annotated by BRENDA team
GENERAL INFORMATION
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
malfunction
-
inactivation of HIV-1 protease significantly increases the protease-specific humoral immune responses in mice
physiological function
-
the enzyme is required for virus replication
SUBSTRATE
PRODUCT                      
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate)
LITERATURE
(Substrate)
COMMENTARY
(Product)
LITERATURE
(Product)
Reversibility
r=reversible
ir=irreversible
?=not specified
2-aminobenzoyl-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 + H2O
2-aminobenzoyl-Thr-Ile-Nle + p-nitro-Phe-Gln-Arg-NH2
show the reaction diagram
-
-
-
-
?
2-aminobenzoyl-TI-Nle-Phe(NO2)-ER + H2O
2-aminobenzoyl-Thr-Ile-Nle + Phe(NO2)-Glu-Arg
show the reaction diagram
-
-
-
-
?
2-aminobenzoyl-TI-Nle-Phe(NO2)-QR + H2O
2-aminobenzoyl-Thr-Ile-Nle + Phe(NO2)-Gln-Arg
show the reaction diagram
-
-
-
-
?
2-aminobenzoyl-TI-Nle-Phe(NO2)-QR-NH2 + H2O
2-aminobenzoyl-Thr-Ile-Nle + Phe(NO2)-Gln-Arg-NH2
show the reaction diagram
-
the enzyme reacts with the substrate to give an initial enzyme-substrate complex that isomerizes to a kinetically competent intermediate EX
-
-
?
4-(4-(dimethylamino)phenylazo)benzoyl-SQNYPIVQ-5-((2-aminoethyl)amino)naphthalene-1-sulfonic acid + H2O
?
show the reaction diagram
-
-
-
-
?
Abz-Ala-Arg-Val-Nle-(p-nitro)Phe-Phe-Glu-Ala-Nle-NH2 + H2O
Abz-Ala-Arg-Val-Nle + (p-nitro)Phe-Phe-Glu-Ala-Nle-NH2
show the reaction diagram
-
-
-
-
?
Abz-Arg-Val-Nle-(p-nitro)Phe-Phe-Glu-Ala-Nle-NH2 + H2O
Abz-Arg-Val-Nle + (p-nitro)Phe-Phe-Glu-Ala-Nle-NH2
show the reaction diagram
-
-
-
-
?
Abz-KARV-Nle-Phe(NO2)-EA-Nle-NH2 + H2O
Abz-KARV-Nle + Phe(NO2)-EA-Nle-NH2
show the reaction diagram
-
-
-
-
?
Abz-Lys-Ala-Arg-Val-Nle-(p-nitro)Phe-Phe-Glu-Ala-Nle-NH2 + H2O
Abz-Lys-Ala-Arg-Val-Nle + (p-nitro)Phe-Phe-Glu-Ala-Nle-NH2
show the reaction diagram
-
-
-
-
?
Abz-Thr-Ile-Nle-(p-nitro)Phe-Gln-Arg-NH2 + H2O
Abz-Thr-Ile-Nle + (p-nitro)Phe-Gln-Arg-NH2
show the reaction diagram
-
-
-
-
?
Abz-Thr-Ile-Nle-4-nitro-Phe-Gln-Arg-NH2 + H2O
Abz-Thr-Ile-Nle + 4-nitro-Phe-Gln-Arg-NH2
show the reaction diagram
-
the fluorogenic peptide substrate
-
-
?
Abz-Thr-Ile-Nle-Phe(NO2)-Gln-Arg + H2O
Abz-Thr-Ile-Nle + Phe(NO2)-Gln-Arg
show the reaction diagram
-
-
-
-
?
Abz-Thr-Nle-Phe(NO2)-QR-NH2 + H2O
Abz-Thr-Ile-Nle + Phe(NO2)-Gln-Arg-NH2
show the reaction diagram
-
-
-
-
?
Ac-ARALAE-NH2 + H2O
Ac-ARAL + AE-NH2
show the reaction diagram
-
-
-
?
Ac-ATIMMQR-NH2 + H2O
Ac-ATIM + MQR-NH2
show the reaction diagram
-
-
-
?
Ac-HGWILAEHGD-NH2 + H2O
Ac-HGWIL + AEHGD-NH2
show the reaction diagram
-
-
-
?
Ac-KASQ(p-nitrophenylalanine)PPV-NH2 + H2O
Ac-KASQ + (4-nitro)FPPV-NH2
show the reaction diagram
-
-
-
-
?
Ac-RASQNYPVV-NH2 + H2O
Ac-RASQNY + PVV-NH2
show the reaction diagram
-
-
-
?
Ac-RKILFLDG-NH2 + H2O
Ac-RKIL + FLDG-NH2
show the reaction diagram
-
-
-
?
Ac-SQNYFLDG-NH2 + H2O
Ac-SQNY + FLDG-NH2
show the reaction diagram
-
-
-
?
Ac-SQNYPIV-NH2 + H2O
Ac-SQNY + PIV-NH2
show the reaction diagram
-
-
-
-
?
Ac-SQNYPVV-NH2 + H2O
Ac-SQNY + PVV-NH2
show the reaction diagram
-
-
-
?
Ac-SQNYPVVR + H2O
Ac-SQNY + PVVR
show the reaction diagram
-
-
-
-
?
Ac-SQSYPVV-NH2 + H2O
Ac-SQSY + PVV-NH2
show the reaction diagram
-
-
-
?
Ac-TIMMQR-NH2 + H2O
Ac-TIM + MQR-NH2
show the reaction diagram
-
-
-
-
?
Ac-VSQNYPIV-NH2 + H2O
Ac-VSQNY + PIV-NH2
show the reaction diagram
-
-
-
?
Ac-YRARVFFVRAAK-biotin + H2O
?
show the reaction diagram
-
-
-
-
?
AETFYVDG + H2O
?
show the reaction diagram
-
-
-
-
?
AETFYVDGAA + H2O
AETF + YVDGAA
show the reaction diagram
P03367
-
-
-
-
AETFYVDGAA + H2O
AETF + YVDGAA
show the reaction diagram
-
-
-
-
?
Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys-(DABCYL)-Arg + H2O
?
show the reaction diagram
-
-
-
-
?
Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg + H2O
?
show the reaction diagram
-
-
-
-
?
Arg-Glu-[5-[(2'-aminoethyl)-amino]naphthalenesulfonyl]-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys-[4-[[4'-(dimethylamino)phenyl]azo]-benzoyl]-Arg + H2O
?
show the reaction diagram
-
-
-
-
?
Arg-Pro-Gly-Asn-Phe-Leu-Gln-Ser-Arg-Pro + H2O
?
show the reaction diagram
Q90VT5
decameric p1-p6 peptide
-
-
?
ARVLAEAM + H2O
ARVL + AEAM
show the reaction diagram
-
-
-
?
ARVLAEAM + H2O
ARVL + AEAM
show the reaction diagram
-
-
-
?
ATHDVY-Phe(NO2)-VRKA + H2O
ATHDVY + Phe(NO2)-VRKA
show the reaction diagram
-
-
-
?
ATHNVY-Phe(NO2)-VRKA + H2O
ATHNVY + Phe(NO2)-VRKA
show the reaction diagram
-
-
-
?
ATHQVY-Phe(NO2)-VRKA + H2O
ATHQVY + Phe(NO2)-VRKA
show the reaction diagram
-
-
-
?
ATHRVY-Phe(NO2)-VRKA + H2O
ATHRVY + Phe(NO2)-VRKA
show the reaction diagram
-
-
-
?
ATHVVY-Phe(NO2)-VRKA + H2O
ATHVVY + Phe(NO2)-VRKA
show the reaction diagram
-
-
-
?
ATHYVY-Phe(NO2)-VRKA + H2O
ATHYVY + Phe(NO2)-VRKA
show the reaction diagram
-
-
-
?
ATIMMQRG + H2O
ATIM + MQRG
show the reaction diagram
-
-
-
?
B-chain of oxidized insulin + H2O
?
show the reaction diagram
-
-
-
-
?
beta-secretase + H2O
truncated beta-secretase protein + peptide E25-F39
show the reaction diagram
-
expression of beta-secretase in mammalian host cells leads to full-length pro-form and the processed enzyme missing the first 24 amino acids and beginning with residue E25. Protease treatment of the mixture results in complete cleavage of the F39-V40 bond
-
-
?
beta-secretase precursor protein + H2O
truncated beta-secretase protein + peptide T1-F39
show the reaction diagram
-
expression of beta-secretase in mammalian host cells leads to full-length pro-form and the processed enzyme missing the first 24 amino acids and beginning with residue E25. Protease treatment of the mixture results in complete cleavage of the F39-V40 bond
-
-
?
capsid-p2 protein + H2O
?
show the reaction diagram
-
-
-
-
?
CTLNFPISP + H2O
CTLNF + PISP
show the reaction diagram
P03367
-
-
-
?
DABCYL-(gamma-Abu)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS + H2O
?
show the reaction diagram
-
-
-
-
?
DTV(I)33EEMS + H2O
DTV(I)33 + EEMS
show the reaction diagram
-
-
-
?
DTV(L)33EEMS + H2O
DTV(L)33 + EEMS
show the reaction diagram
-
-
-
?
DTV(V)33EEMS + H2O
DTV(V)33 + EEMS
show the reaction diagram
-
-
-
?
DTV(V)33EKMS + H2O
DTV(V)33 + EKMS
show the reaction diagram
-
-
-
?
GAETFYVDGAA + H2O
GAETF + YVDGAA
show the reaction diagram
-
-
-
?
Gag polyprotein + H2O
?
show the reaction diagram
-
-
-
-
?
Gag polyprotein + H2O
?
show the reaction diagram
Q7SSE3
-
-
-
?
Gag polyprotein + H2O
?
show the reaction diagram
-
substrate sites, overview
-
-
?
Gag polyprotein + H2O
?
show the reaction diagram
-
CA/p2 cleavage site is KARVL*AEAMS
-
-
?
Gag precursor protein + H2O
?
show the reaction diagram
-
five different cleavage sites, the p2-NC-site is the first, the CA/p2 the last one in sequential processing of the precursor
-
-
?
Gag protein + H2O
?
show the reaction diagram
-
proteolytic cleavage in the host cell cytoplasm, site-specific proteolytic cleavage of the protein precursor
-
-
?
Gag-Pol polyprotein + H2O
?
show the reaction diagram
-
-
-
-
?
Gag-Pol polyprotein + H2O
?
show the reaction diagram
Q7SSE3
-
-
-
?
Gag-Pol polyprotein + H2O
?
show the reaction diagram
-
proteolytic cleavage in the host cell cytoplasm
-
-
?
Gag-Pol polyprotein + H2O
?
show the reaction diagram
-
NC/p1 cleavage site is ERQAN*FLGKI
-
-
?
Gag-Pol polyprotein + H2O
?
show the reaction diagram
-
site-specific proteolytic cleavage of the protein precursor
-
-
?
GagPol polyprotein + H2O
?
show the reaction diagram
-
-
-
-
?
H-Lys-Ala-Arg-Val-Tyr-Phe(4-NO2)-Glu-Ala-Nle-NH2 + H2O
Lys-Ala-Arg-Val-Tyr + Phe(4-NO2)-Glu-Ala-Nle-NH2
show the reaction diagram
-
-
-
-
?
His-Lys-Ala-Arg-Val-Leu-(4-nitro)Phe-Glu-Ala-Nle-Ser-amide + H2O
His-Lys-Ala-Arg-Val-Leu + (4-nitro)Phe-Glu-Ala-Nle-Ser-amide
show the reaction diagram
-
-
-
-
?
His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nle-Ser-NH2 + H2O
His-Lys-Ala-Arg-Val-Leu + (p-NO2-Phe)-Glu-Ala-Nle-Ser-NH2
show the reaction diagram
-
-
-
-
?
His-Lys-Ala-Arg-Val-Leu-(pNO2-Phe)-Glu-Ala-Ile-Ser-NH2 + H2O
His-Lys-Ala-Arg-Val-Leu + (pNO2-Phe)-Glu-Ala-Ile-Ser-NH2
show the reaction diagram
-
-
-
-
?
His-Lys-Ala-Arg-Val-Leu-(pNO2-Phe)-Glu-Ala-Nle-Ser-NH2 + H2O
?
show the reaction diagram
-
-
-
-
?
HIV-1 Gag-Pol polyprotein + H2O
?
show the reaction diagram
-
site-specific proteolytic cleavage, protein precursors and peptides derived thereof
-
-
?
HIV-2 Gag-Pol poylprotein + H2O
?
show the reaction diagram
-
site-specific proteolytic cleavage, protein precursors and peptides derived thereof
-
-
?
HKARVLAEAMS + H2O
HKARVL + AEAMS
show the reaction diagram
-
-
-
?
IPFAAAQQRK + H2O
IPFAA + AQQRK
show the reaction diagram
Q7SSE3
the protein contains a HIV-2 cleavage site
-
-
?
IRKILFLDG + H2O
IRKIL + FLDG
show the reaction diagram
P03367
-
-
-
?
KAQNYPIA-Nle + H2O
KAQNY + PIA-Nle
show the reaction diagram
-
-
-
?
KAQNYPIV-Nle + H2O
KAQNY + PIV-Nle
show the reaction diagram
-
-
-
?
KARA-Nle-Phe(NO2)-EA-Nle + H2O
KARA-Nle + Phe(NO2)-EA-Nle
show the reaction diagram
-
-
-
?
KARI-Nle-Phe(NO2)-EA-Nle + H2O
KARI-Nle + Phe(NO2)-EA-Nle
show the reaction diagram
-
-
-
?
KARL-Nle-Phe(NO2)-EA-Nle + H2O
KARL-Nle + Phe(NO2)-EA-Nle
show the reaction diagram
-
-
-
?
KARLMAEALK + H2O
KARLM + AEALK
show the reaction diagram
Q7SSE3
the protein contains a HIV-2 cleavage site
-
-
?
KARN-Nle-Phe(NO2)-EA-Nle + H2O
KARN-Nle + Phe(NO2)-EA-Nle
show the reaction diagram
-
-
-
?
KARNYPA-Nle + H2O
KARNY + PA-Nle
show the reaction diagram
-
-
-
?
KARNYPE-Nle + H2O
KARNY + PE-Nle
show the reaction diagram
-
-
-
?
KARNYPI-Nle + H2O
KARNY + PI-Nle
show the reaction diagram
-
-
-
?
KARNYPN-Nle + H2O
KARNY + PN-Nle
show the reaction diagram
-
-
-
?
KARNYPQ-Nle + H2O
KARNY + PQ-Nle
show the reaction diagram
-
-
-
?
KARNYPV-Nle + H2O
KARNY + PV-Nle
show the reaction diagram
-
-
-
?
KARV-Nle-Phe(NO2)-AA-Nle + H2O
KARV-Nle + Phe(NO2)-AA-Nle
show the reaction diagram
-
-
-
?
KARV-Nle-Phe(NO2)-EA-Nle + H2O
KARV-Nle + Phe(NO2)-EA-Nle
show the reaction diagram
-
-
-
-
-
KARV-Nle-Phe(NO2)-EA-Nle + H2O
KARV-Nle + Phe(NO2)-EA-Nle
show the reaction diagram
-
-
-
?
KARV-Nle-Phe(NO2)-EA-Nle-NH2 + H2O
KARV-Nle + Phe(NO2)-EA-Nle-NH2
show the reaction diagram
-
-
-
-
?
KARV-Nle-Phe(NO2)-EA-Nle-NH2 + H2O
KARV-Nle + Phe(NO2)-EA-Nle-NH2
show the reaction diagram
P03367
-
-
-
?
KARV-Nle-Phe(NO2)-EA-Nle-NH2 + H2O
KARV-Nle + Phe(NO2)-EA-Nle-NH2
show the reaction diagram
P04585
-
-
-
?
KARV-Nle-Phe(NO2)-EA-Nle-NH2 + H2O
KARV-Nle + Phe(NO2)-EA-Nle-NH2
show the reaction diagram
-
-
-
-
?
KARV-Nle-Phe(NO2)-IA-Nle + H2O
KARV-Nle + Phe(NO2)-IA-Nle
show the reaction diagram
-
-
-
?
KARV-Nle-Phe(NO2)-NA-Nle + H2O
KARV-Nle + Phe(NO2)-NA-Nle
show the reaction diagram
-
-
-
?
KARV-Nle-Phe(NO2)-QA-Nle + H2O
KARV-Nle + Phe(NO2)-QA-Nle
show the reaction diagram
-
-
-
?
KARV-Nle-Phe(NO2)-TA-Nle + H2O
KARV-Nle + Phe(NO2)-TA-Nle
show the reaction diagram
-
-
-
?
KARV-Nle-Phe(NO2)-VA-Nle + H2O
KARV-Nle + Phe(NO2)-VA-Nle
show the reaction diagram
-
-
-
?
KARVL-Phe(NO2)-EAM + H2O
KARVL + Phe(NO2)-EAM
show the reaction diagram
-
-
-
-
?
KARVLAEAMS + H2O
KARVL + AEAMS
show the reaction diagram
-
-
-
?
KARVLAEAMS + H2O
KARVL + AEAMS
show the reaction diagram
P03367
-
-
-
?
KARVLAEAMS + H2O
KARVL + AEAMS
show the reaction diagram
-
-
-
-
?
KARVMPhe(NO2)-EA-Nle + H2O
KARVM + Phe(NO2)-EA-Nle
show the reaction diagram
-
-
-
?
KARVYPhe(NO2)-EA-Nle + H2O
KARVY + Phe(NO2)-EA-Nle
show the reaction diagram
-
-
-
?
KGRPGNFLQSRP + H2O
KGRPGNF + LQSRP
show the reaction diagram
-
-
-
?
KLRPGNFLQSRP + H2O
KLRPGNF + LQSRP
show the reaction diagram
-
-
-
-
-
KLRPGNFLQSRP + H2O
KLRPGNF + LQSRP
show the reaction diagram
-
-
-
?
Lys-Ala-Arg-Val-Leu-4-nitro-Phe-Glu-Ala-Nle-Gly + H2O
Lys-Ala-Arg-Val-Leu + 4-nitro-Phe-Glu-Ala-Nle-Gly
show the reaction diagram
-
i.e. substrate L6525, the peptide substrate contains the CA-p2 cleavage site
-
-
?
Lys-Ala-Arg-Val-Leu-4-nitro-Phe-Glu-Ala-Nle-Gly + H2O
Lys-Ala-Arg-Val-Leu + 4-nitro-Phe-Glu-Ala-Nle-Gly
show the reaction diagram
-
the peptide substrate mimicks the CA-p2 cleavage site
-
-
?
Lys-Ala-Arg-Val-Leu-Ala-Glu-Ala-Met + H2O
?
show the reaction diagram
-
in the protease-substrate complex the highest fluctuations correspond to the 17- and 39-turns and the substrate motion is anticorrelated with the 39-turn. The active site residues and the flap tips move in phase with the peptide
-
-
?
Lys-Ala-Arg-Val-Leu-Phe(NO2)-Glu-Ala-Met + H2O
Lys-Ala-Arg-Val-Leu + Phe(NO2)-Glu-Ala-Met
show the reaction diagram
-
-
-
-
?
Lys-Ala-Arg-Val-Nle-(4-nitrophenylalanine)-Glu-Ala-Nle-NH2 + H2O
Lys-Ala-Arg-Val-Nle + (4-nitrophenylalanine)-Glu-Ala-Nle-NH2
show the reaction diagram
-
-
-
-
?
Lys-Ala-Arg-Val-Nle-(p-nitro-Phe)-Glu-Ala-Nle-amide + H2O
Lys-Ala-Arg-Val-Nle + (p-nitro-Phe)-Glu-Ala-Nle-amide
show the reaction diagram
-
-
-
-
?
Lys-Ala-Arg-Val-Nle-4-nitro-Phe-Glu-Ala-Nle-amide + H2O
Lys-Ala-Arg-Val-Nle + 4-nitro-Phe-Glu-Ala-Nle-amide
show the reaction diagram
-
the peptide substrate mimicks the CA-p2 cleavage site
-
-
?
Lys-Ala-Arg-Val-Nle-4-nitro-Phe-Glu-Ala-Nle-amide + H2O
Lys-Ala-Arg-Val-Nle + 4-nitro-Phe-Glu-Ala-Nle-amide
show the reaction diagram
-
the peptide substrate mimicks the HIV-1 CA/p2 cleavage site
-
-
?
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-Gly + H2O
Lys-Ala-Arg-Val-Nle + Phe(4-NO2)-Glu-Ala-Nle-Gly
show the reaction diagram
-
-
-
-
?
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-NH2 + H2O
Lys-Ala-Arg-Val-Nle + Phe(4-NO2)-Glu-Ala-Nle-NH2
show the reaction diagram
-
-
-
-
?
Lys-Ala-Arg-Val-Tyr-p-nitro-Phe-Glu-Ala-Ile-NH2 + H2O
?
show the reaction diagram
-
-
-
-
?
matrix-capsid protein + H2O
?
show the reaction diagram
-
-
-
-
?
N-dansyl-SQNYPIV + H2O
?
show the reaction diagram
-
-
-
-
?
nucleocapsid protein + H2O
?
show the reaction diagram
-
characterization of human immunodeficiency virus type 1 containing mutations in the nucleocapsid protein at a putative HIV-1 protease cleavage site
-
-
?
nucleocapsid-p1 protein + H2O
?
show the reaction diagram
-
-
-
-
?
p1-p6 protein + H2O
?
show the reaction diagram
-
-
-
-
?
p2-nucleocapsid protein + H2O
?
show the reaction diagram
-
-
-
-
?
PAFVLAEAMR + H2O
PAFVL + AEAMR
show the reaction diagram
-
-
-
?
PARVLAEAMR + H2O
PARVL + AEAMR
show the reaction diagram
-
-
-
?
PARVLFEAMR + H2O
PARVL + FEAMR
show the reaction diagram
-
-
-
?
PARVLIEAMR + H2O
PARVL + IEAMR
show the reaction diagram
-
-
-
?
PARVLLEAMR + H2O
PARVL + LEAMR
show the reaction diagram
-
-
-
?
PARVLMEAMR + H2O
PARVL + MEAMR
show the reaction diagram
-
-
-
?
PARVLVEAMR + H2O
PARVL + VEAMR
show the reaction diagram
-
-
-
?
PFAVSLAMTMRR + H2O
PFAVS + LAMTMRR
show the reaction diagram
-
-
-
?
PGAVSLAMTMRR + H2O
PGAVS + LAMTMRR
show the reaction diagram
-
-
-
?
PGNFLESR + H2O
PGNF + LESR
show the reaction diagram
-
-
-
?
PHAVSLAMTMRR + H2O
PHAVS + LAMTMRR
show the reaction diagram
-
-
-
?
PLAVSLAMTMRR + H2O
PLAVS + LAMTMRR
show the reaction diagram
-
-
-
?
PNAVSLAMTMRR + H2O
PNAVS + LAMTMRR
show the reaction diagram
-
-
-
?
Pol polyprotein + H2O
?
show the reaction diagram
-
substrate sites, overview
-
-
?
Poly(A)-binding protein + H2O
?
show the reaction diagram
-
-
-
-
?
PPAGSLAMTMRR + H2O
PPAGS + LAMTMRR
show the reaction diagram
-
-
-
?
PPAHSLAMTMRR + H2O
PPAHS + LAMTMRR
show the reaction diagram
-
-
-
?
PPALSLAMTMRR + H2O
PPALS + LAMTMRR
show the reaction diagram
-
-
-
?
PPASSLAMTMRR + H2O
PPASS + LAMTMRR
show the reaction diagram
-
-
-
?
PPAVALAMTMRR + H2O
PPAVA + LAMTMRR
show the reaction diagram
-
-
-
?
PPAVELAMTMRR + H2O
PPAVE + LAMTMRR
show the reaction diagram
-
-
-
?
PPAVGLAMTMRR + H2O
PPAVG + LAMTMRR
show the reaction diagram
-
-
-
?
PPAVHLAMTMRR + H2O
PPAVH + LAMTMRR
show the reaction diagram
-
-
-
?
PPAVLLAMTMRR + H2O
PPAVL + LAMTMRR
show the reaction diagram
-
-
-
?
PPAVRLAMTMRR + H2O
PPAVR + LAMTMRR
show the reaction diagram
-
-
-
?
PPAVSEAMTMRR + H2O
PPAVS + EAMTMRR
show the reaction diagram
-
-
-
?
PPAVSFAMTMRR + H2O
PPAVS + FAMTMRR
show the reaction diagram
-
-
-
?
PPAVSGAMTMRR + H2O
PPAVS + GAMTMRR
show the reaction diagram
-
-
-
?
PPAVSLALTMRR + H2O
PPAVS + LALTMRR
show the reaction diagram
-
-
-
?
PPAVSLAMTMRR + H2O
PPAVS + LAMTMRR
show the reaction diagram
-
-
-
?
PPAVSLAMTMRR + H2O
PPAVS + LAMTMRR
show the reaction diagram
-
-
-
-
?
PPAVSLANTMRR + H2O
PPAVS + LANTMRR
show the reaction diagram
-
-
-
?
PPAVSLAYTMRR + H2O
PPAVS + LAYTMRR
show the reaction diagram
-
-
-
?
PPAVSLGMTMRR + H2O
PPAVS + LGMTMRR
show the reaction diagram
-
-
-
?
PPAVSLHMTMRR + H2O
PPAVS + LHMTMRR
show the reaction diagram
-
-
-
?
PPAVSLLMTMRR + H2O
PPAVS + LLMTMRR
show the reaction diagram
-
-
-
?
PPAVSLSMTMRR + H2O
PPAVS + LSMTMRR
show the reaction diagram
-
-
-
?
PPAVSQAMTMRR + H2O
PPAVS + QAMTMRR
show the reaction diagram
-
-
-
?
PPAVSRAMTMRR + H2O
PPAVS + RAMTMRR
show the reaction diagram
-
-
-
?
PPAVWLAMTMRR + H2O
PPAVW + LAMTMRR
show the reaction diagram
-
-
-
?
PPAWSLAMTMRR + H2O
PPAWS + LAMTMRR
show the reaction diagram
-
-
-
?
PPDVSLAMTMRR + H2O
PPDVS + LAMTMRR
show the reaction diagram
-
-
-
?
PPFVSLAMTMRR + H2O
PPFVS + LAMTMRR
show the reaction diagram
-
-
-
?
PPGVSLAMTMRR + H2O
PPGVS + LAMTMRR
show the reaction diagram
-
-
-
?
PPHVSLAMTMRR + H2O
PPHVS + LAMTMRR
show the reaction diagram
-
-
-
?
PPNVSLAMTMRR + H2O
PPNVS + LAMTMRR
show the reaction diagram
-
-
-
?
PPPVSLAMTMRR + H2O
PPPVS + LAMTMRR
show the reaction diagram
-
-
-
?
PPRVSLAMTMRR + H2O
PPRVS + LAMTMRR
show the reaction diagram
-
-
-
?
PQITLLLLLKWKRP + H2O
PQITLLLLL + WKRP
show the reaction diagram
-
-
-
?
PQITLLLLLWQRP + H2O
PQITLLLLL + WQRP
show the reaction diagram
-
-
-
?
reverse transcriptase-RNaseH protein + H2O
?
show the reaction diagram
-
-
-
-
?
REYDQI(I)63IEVS + H2O
REYDQI(I)63 + IEVS
show the reaction diagram
-
-
-
?
REYDQI(L)63IEVS + H2O
REYDQI(L)63 + IEVS
show the reaction diagram
-
-
-
?
REYDQI(L)63IKVS + H2O
REYDQI(L)63 + IKVS
show the reaction diagram
-
-
-
?
RKILFLDG + H2O
RKIL + FLDG
show the reaction diagram
-
-
-
?
RNaseH-integrase protein + H2O
?
show the reaction diagram
-
-
-
-
?
RQGTVSFNFPQITL + H2O
RQGTVSFNF + PQITL
show the reaction diagram
-
-
-
?
RQGTVSFNFPQITL + H2O
RQGTVSFNF + PQITL
show the reaction diagram
-
-
-
-
?
SANYPIV + H2O
SANY + PIV
show the reaction diagram
-
-
-
?
SCNYPIV + H2O
SCNY + PIV
show the reaction diagram
-
-
-
?
SDNYPIV + H2O
SDNY + PIV
show the reaction diagram
-
-
-
?
SENYPIV + H2O
SENY + PIV
show the reaction diagram
-
-
-
?
SFNFPQIT + H2O
SFNF + PQIT
show the reaction diagram
-
-
-
?
SFNYPIV + H2O
SFNY + PIV
show the reaction diagram
-
-
-
?
SGNYPIV + H2O
SGNY + PIV
show the reaction diagram
-
-
-
?
SHNYPIV + H2O
SHNY + PIV
show the reaction diagram
-
-
-
?
SINYPIV + H2O
SINY + PIV
show the reaction diagram
-
-
-
?
SKNYPIV + H2O
SKNY + PIV
show the reaction diagram
-
-
-
?
SLNYPIV + H2O
SLNY + PIV
show the reaction diagram
-
-
-
?
SMNYPIV + H2O
SMNY + PIV
show the reaction diagram
-
-
-
?
SNNYPIV + H2O
SNNY + PIV
show the reaction diagram
-
-
-
?
SQAYPIV + H2O
SQAY + PIV
show the reaction diagram
-
-
-
?
SQCYPIV + H2O
SQCY + PIV
show the reaction diagram
-
-
-
?
SQDYPIV + H2O
SQDY + PIV
show the reaction diagram
-
-
-
?
SQEYPIV + H2O
SQEY + PIV
show the reaction diagram
-
-
-
?
SQNFPIV + H2O
SQNF + PIV
show the reaction diagram
-
-
-
?
SQNLPIV + H2O
SQNL + PIV
show the reaction diagram
-
-
-
?
SQNMPIV + H2O
SQNM + PIV
show the reaction diagram
-
-
-
?
SQNWPIV + H2O
SQNW + PIV
show the reaction diagram
-
-
-
?
SQNYAIV + H2O
SQNY + AIV
show the reaction diagram
-
-
-
?
SQNYFIV + H2O
SQNY + FIV
show the reaction diagram
-
-
-
?
SQNYIIV + H2O
SQNY + IIV
show the reaction diagram
-
-
-
?
SQNYLIV + H2O
SQNY + LIV
show the reaction diagram
-
-
-
?
SQNYMIV + H2O
SQNY + MIV
show the reaction diagram
-
-
-
?
SQNYPAV + H2O
SQNY + PAV
show the reaction diagram
-
-
-
?
SQNYPIV + H2O
SQNY + PIV
show the reaction diagram
-
-
-
?
SQNYPIV + H2O
SQNY + PIV
show the reaction diagram
-
-
-
-
?
SQNYPIVQ + H2O
SQNY + PIVQ
show the reaction diagram
-
-
-
?
SQNYPLV + H2O
SQNY + PLV
show the reaction diagram
-
-
-
?
SQNYVIV + H2O
SQNY + VIV
show the reaction diagram
-
-
-
?
SQNYWIV + H2O
SQNY + WIV
show the reaction diagram
-
-
-
?
SQNYYIV + H2O
SQNY + YIV
show the reaction diagram
-
-
-
?
SQVYPIV + H2O
SQVY + PIV
show the reaction diagram
-
-
-
?
SRNYPIV + H2O
SRNY + PIV
show the reaction diagram
-
-
-
?
SSNYPIV + H2O
SSNY + PIV
show the reaction diagram
-
-
-
?
STNYPIV + H2O
STNY + PIV
show the reaction diagram
-
-
-
?
SWNYPIV + H2O
SWNY + PIV
show the reaction diagram
-
-
-
?
SYNYPIV + H2O
SYNY + PIV
show the reaction diagram
-
-
-
?
TATIMMQRGN + H2O
TATIM + MQRGN
show the reaction diagram
-
-
-
?
TATIMMQRGN + H2O
TATIM + MQRGN
show the reaction diagram
-
-
-
-
?
TFQA(p-nitrophenylalanine)PLREA + H2O
?
show the reaction diagram
-
-
-
-
?
TLNFPISP + H2O
TLNF + PISP
show the reaction diagram
-
-
-
?
TLNFPISPKK + H2O
TLNF + PISPKK
show the reaction diagram
-
-
-
-
?
translation initiation factor eIF4GI + H2O
?
show the reaction diagram
-
-
-
-
?
Val-Ser-Gln-Ala-Tyr-Pro-Ile-Val-Gln + H2O
Val-Ser-Gln-Ala-Tyr + Pro-Ile-Val-Gln
show the reaction diagram
P04587
-
-
-
?
Val-Ser-Gln-Asn-(2-naphthylalanine)-Pro-Ile-Val + H2O
?
show the reaction diagram
-
-
-
-
?
Val-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln + H2O
Val-Ser-Gln-Asn-Tyr + Pro-Ile-Val-Gln
show the reaction diagram
P04587
-
-
-
?
Val-Ser-Gln-Cys-Tyr-Pro-Ile-Val-Gln + H2O
Val-Ser-Gln-Cys-Tyr + Pro-Ile-Val-Gln
show the reaction diagram
P04587
-
-
-
?
Val-Ser-Gln-Gly-Tyr-Pro-Ile-Val-Gln + H2O
Val-Ser-Gln-Gly-Tyr + Pro-Ile-Val-Gln
show the reaction diagram
P04587
-
-
-
?
Val-Ser-Gln-Ile-Tyr-Pro-Ile-Val-Gln + H2O
Val-Ser-Gln-Ile-Tyr + Pro-Ile-Val-Gln
show the reaction diagram
P04587
-
-
-
?
Val-Ser-Gln-Leu-Tyr-Pro-Ile-Val-Gln + H2O
Val-Ser-Gln-Leu-Tyr + Pro-Ile-Val-Gln
show the reaction diagram
P04587
-
-
-
?
Val-Ser-Gln-Phe-Tyr-Pro-Ile-Val-Gln + H2O
Val-Ser-Gln-Phe-Tyr + Pro-Ile-Val-Gln
show the reaction diagram
P04587
-
-
-
?
Val-Ser-Gln-Thr-Tyr-Pro-Ile-Val-Gln + H2O
Val-Ser-Gln-Thr-Tyr + Pro-Ile-Val-Gln
show the reaction diagram
P04587
-
-
-
?
Val-Ser-Gln-Val-Tyr-Pro-Ile-Val-Gln + H2O
Val-Ser-Gln-Val-Tyr + Pro-Ile-Val-Gln
show the reaction diagram
P04587
-
-
-
?
VAQNYPIVQ + H2O
VAQNY + PIVQ
show the reaction diagram
-
-
-
?
VDQNYPIVQ + H2O
VDQNY + PIVQ
show the reaction diagram
-
-
-
?
VFQNYPIVQ + H2O
VFQNY + PIVQ
show the reaction diagram
-
-
-
?
VGQNYPIVQ + H2O
VGQNY + PIVQ
show the reaction diagram
-
-
-
?
VIQNYPIVQ + H2O
VIQNY + PIVQ
show the reaction diagram
-
-
-
?
VKQNYPIVQ + H2O
VKQNY + PIVQ
show the reaction diagram
-
-
-
?
VLQNYPIVQ + H2O
VLQNY + PIVQ
show the reaction diagram
-
-
-
?
VLQNYPIVQ + H2O
VLQNY + PIVQ
show the reaction diagram
Q7SSE3
the protein contains a HIV-1 cleavage site
-
-
?
VMQNYPIVQ + H2O
VMQNY + PIVQ
show the reaction diagram
-
-
-
?
VNQNYPIVQ + H2O
VNQNY + PIVQ
show the reaction diagram
-
-
-
?
VPQNYPIVQ + H2O
VPQNY + PIVQ
show the reaction diagram
-
-
-
?
VRQNYPIVQ + H2O
VRQNY + PIVQ
show the reaction diagram
-
-
-
?
VSFNFPQITKK + H2O
VSFNF + PQITKK
show the reaction diagram
-
-
-
?
VSFNFPQITL + H2O
VSFNF + PQITL
show the reaction diagram
P03367
-
-
?
VSQLYPIVQ + H2O
VSQLY + PIVQ
show the reaction diagram
Q7SSE3
the protein contains a HIV-1 cleavage site
-
-
?
VSQNYPIDQ + H2O
VSQNY + PIDQ
show the reaction diagram
-
-
-
?
VSQNYPIV + H2O
VSQNY + PIV
show the reaction diagram
-
-
-
?
VSQNYPIVQ + H2O
VSQNY + PIVQ
show the reaction diagram
-
-
-
?
VSQNYPIVQ + H2O
VSQNY + PIVQ
show the reaction diagram
-
-
-
-
?
VSQNYPIVQ + H2O
VSQNY + PIVQ
show the reaction diagram
-
-
-
?
VSQVYPIVQ + H2O
VSQVY + PIVQ
show the reaction diagram
Q7SSE3
the protein contains a HIV-1 cleavage site
-
-
?
VTQNYPIVQ + H2O
VTQNY + PIVQ
show the reaction diagram
-
-
-
?
VVQNYPIVQ + H2O
VVQNY + PIVQ
show the reaction diagram
-
-
-
?
VVQNYPIVQ + H2O
VVQNY + PIVQ
show the reaction diagram
Q7SSE3
the protein contains a HIV-1 cleavage site
-
-
?
YVSQNFPIVQNR + H2O
YVSQNF + PIVQNR
show the reaction diagram
-
synthetic peptide substrate based on the Ma/Ca cleavage site of HIV-1 Gag
-
-
?
eIF4GI + H2O
?
show the reaction diagram
-
perhaps cleavage of eIF4G is an event that contributes to a more efficient translation of the genomic HIV-1 mRNA, proteolysis of eIF4GI inhibits protein synthesis directed by capped mRNAs but allows internal ribosome entry site-driven translation, purified enzyme cleaves at positions 678-679, 681-682 and 1086-1087, separating the three domains of the initiation factor
-
-
?
elF4GI + H2O
additional information
-
-
purified enzyme cleaves at positions 678-679, 681-682 and 1086-1087, separating the three domains of the initiation factor
-
-
?
Moloney murine sarcoma virus-derived gag protein + H2O
?
show the reaction diagram
-
-
-
-
?
additional information
?
-
-
insertion of human immunodeficiency virus type 1 protease substrate sequences into the permissive sites converts thymidylate synthase to an HIV-1 protease substrate
-
-
-
additional information
?
-
-
replacement of the P1 amino acid of human immunodeficiency virus type 1 Gag processing sites can inhibit or enhance the rate of cleavage by the viral protease
-
-
-
additional information
?
-
-
autocatalytic maturation, two temporally regulated N-terminal cleavages, first at the native TFP/p6pol followed by cleavage at the p6pol/PR, are crucial for protease maturation and enzymatic activity
-
-
-
additional information
?
-
-
the enzyme exhibits autoprocessing
-
-
-
additional information
?
-
-
artificial neural network method for predicting HIV protease cleavage sites in protein
-
-
-
additional information
?
-
-
sequences surrounding HIV-1 protease cleavage sites in several viral and nonviral protein substrates. No amino acid is required at any of the eight positions of the substrate. The highest preference is seen for glutamate at P2' followed by Phe at P1
-
-
-
additional information
?
-
-
the cleavage site involves a Phe or Tyr as the N-terminal P1 side and a Pro as the C-terminal P1' side of the scissile bond
-
-
-
additional information
?
-
-
the minimum length of effective HIV-1 protease substrate is seven amino acid residues
-
-
-
additional information
?
-
-
autoprocessing of the mature protease from the precursor can either occur in two steps at pH values of 4 to 6 or in a single step above pH 6
-
-
-
additional information
?
-
-
the enzyme plays an essential role in the late-stage maturation step of the virus replication cycle. HIV-1 proteinase autocatalyzes its own cleavage from the Pr165 polyprotein precursor and then cleaves both polyproteins at other specific sites to produce mature proteins
-
-
-
additional information
?
-
-
regulation of the protease in the viral life cycle: transframe region flanking the N-terminus of the protease may function as a negative regulator for protein folding and dimerization. The low dimer stability of the protease precursor relative to that of the mature enzyme is an ideal way of preventing the emergence of enzymatic functions until assembly of the viral particle is complete
-
-
-
additional information
?
-
-
the enzyme is responsible for the processing of gag and gag-pol polyprotein precursors to produce structural proteins and enzymes for the mature virus
-
-
-
additional information
?
-
-
the enzyme facilitates viral maturation by cleaving ten asymmetric and nonhomologous sequences in the Gag and Pol polyproteins
-
-
-
additional information
?
-
-
the enzyme is essential for the replication of the virus
-
-
-
additional information
?
-
-
the enzyme is involved in regulation of the incorporation of reverse transcriptase in the viral early assembly complex comprising reverse transcriptase, genomic RNA, Gag, Gag-Pol, tRNALys, and lysyl tRNA synthetase, HIV-1 protease activity is negatively regulated by the lysyl tRNA synthetase
-
-
-
additional information
?
-
P04587
amino acid preferences for the critical P2' substrate binding subsite in type 1 cleavage sites, molecular modeling and phylogenetic comparison, overview
-
-
-
additional information
?
-
-
molecular basis for substrate recognition and drug resistance
-
-
-
additional information
?
-
-
substrate and cleavage site sequence specificity, overview, drug resistance occasionally confers a change in substrate specificity, prediction of substrate specificity by three-dimensional structure analysis, detailed overview
-
-
-
additional information
?
-
-
substrate specificity and kinetics of wild-type and mutant enzymes, overview
-
-
-
additional information
?
-
-
comparison of protease specificities for P1, P3, P4 cleaving positions of proteases of HIV-1, HIV-2, equine infectious anemia virus, avian myeloblastosis virus, Mason-Pfizer monkey virus, mouse mammary tumor virus, Moloney murine leukemia virus, human T-lymphotropic virus type 1, bovine leukemia virus, walleye dermal sarcoma virus, and human foamy virus. The retroviral proteases have similar preferences for Phe and Tyr for the P1 position in this sequence context. The sizes of the P3 and P4 residues appear to be a major contributor for specificity
-
-
-
additional information
?
-
-
Arg-Val-Leu-Ala-Glu-Ala-Met mimics the real substrate
-
-
-
NATURAL SUBSTRATES
NATURAL PRODUCTS
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate)
LITERATURE
(Substrate)
COMMENTARY
(Product)
LITERATURE
(Product)
REVERSIBILITY
r=reversible
ir=irreversible
?=not specified
eIF4GI + H2O
?
show the reaction diagram
-
perhaps cleavage of eIF4G is an event that contributes to a more efficient translation of the genomic HIV-1 mRNA, proteolysis of eIF4GI inhibits protein synthesis directed by capped mRNAs but allows internal ribosome entry site-driven translation, purified enzyme cleaves at positions 678-679, 681-682 and 1086-1087, separating the three domains of the initiation factor
-
-
?
Gag polyprotein + H2O
?
show the reaction diagram
-
-
-
-
?
Gag polyprotein + H2O
?
show the reaction diagram
Q7SSE3
-
-
-
?
Gag polyprotein + H2O
?
show the reaction diagram
-
substrate sites, overview
-
-
?
Gag protein + H2O
?
show the reaction diagram
-
proteolytic cleavage in the host cell cytoplasm
-
-
?
Gag-Pol polyprotein + H2O
?
show the reaction diagram
-
-
-
-
?
Gag-Pol polyprotein + H2O
?
show the reaction diagram
Q7SSE3
-
-
-
?
Gag-Pol polyprotein + H2O
?
show the reaction diagram
-
proteolytic cleavage in the host cell cytoplasm
-
-
?
nucleocapsid protein + H2O
?
show the reaction diagram
-
-
-
-
?
Pol polyprotein + H2O
?
show the reaction diagram
-
substrate sites, overview
-
-
?
Poly(A)-binding protein + H2O
?
show the reaction diagram
-
-
-
-
?
translation initiation factor eIF4GI + H2O
?
show the reaction diagram
-
-
-
-
?
GagPol polyprotein + H2O
?
show the reaction diagram
-
-
-
-
?
additional information
?
-
-
the enzyme plays an essential role in the late-stage maturation step of the virus replication cycle. HIV-1 proteinase autocatalyzes its own cleavage from the Pr165 polyprotein precursor and then cleaves both polyproteins at other specific sites to produce mature proteins
-
-
-
additional information
?
-
-
regulation of the protease in the viral life cycle: transframe region flanking the N-terminus of the protease may function as a negative regulator for protein folding and dimerization. The low dimer stability of the protease precursor relative to that of the mature enzyme is an ideal way of preventing the emergence of enzymatic functions until assembly of the viral particle is complete
-
-
-
additional information
?
-
-
the enzyme is responsible for the processing of gag and gag-pol polyprotein precursors to produce structural proteins and enzymes for the mature virus
-
-
-
additional information
?
-
-
the enzyme facilitates viral maturation by cleaving ten asymmetric and nonhomologous sequences in the Gag and Pol polyproteins
-
-
-
additional information
?
-
-
the enzyme is essential for the replication of the virus
-
-
-
additional information
?
-
-
the enzyme is involved in regulation of the incorporation of reverse transcriptase in the viral early assembly complex comprising reverse transcriptase, genomic RNA, Gag, Gag-Pol, tRNALys, and lysyl tRNA synthetase, HIV-1 protease activity is negatively regulated by the lysyl tRNA synthetase
-
-
-
additional information
?
-
-
Arg-Val-Leu-Ala-Glu-Ala-Met mimics the real substrate
-
-
-
METALS and IONS
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
Na+
-
role of Na+ ions in stabilizing the active site
NaCl
-
the protease works more efficiently at high salt concentrations, 2 M NaCl, than at lower salt concentrations
additional information
-
the activity of the enzyme is dependent on the ionic strength of the reaction mixture, rather than on the binding of a specific ion to an enzymatic site
INHIBITORS
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
((S)-1-(N'-(3',5'-difluoro-biphenyl-4-ylmethyl)-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxyindan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl)-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
-
((S)-1-(N'-(4'-acetylamino-biphenyl-4-ylmethyl)-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl)-2,2-dimethylpropyl)-carbamic acid methyl ester
-
-
((S)-1-(N'-(4-benzo[1,3]dioxol-5-yl-benzyl)-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxyindan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl)-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
-
((S)-1-(N'-benzyl-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl)-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
-
((S)-1-(N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-N'-phenethyl-hydrazinocarbonyl)-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
-
((S)-1-(N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-N'-[4-(1-methyl-1H-pyrazol-4-yl)-benzyl]-hydrazinocarbonyl)-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
-
((S)-1-(N'-[4-(3,5-dimethyl-isoxazol-4-yl)-benzyl]-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl)-2,2-dimethylpropyl)-carbamic acid methyl ester
-
-
((S)-1-[N'-(4-bromo-benzyl)-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
-
((S)-1-[N'-biphenyl-4-ylmethyl-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
-
((S)-1-[N'-[(S)-3-Hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-N'-(4-pyridin-2-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
-
((S)-1-[N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-N'-(4-pyridin-3-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
-
((S)-1-[N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-N'-(4-pyridin-4-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
-
(1-Benzyl-3-benzylcarbamoyl-3,3-difluoro-2-oxo-propyl)-carbamic acid benzyl ester
-
-
(1S)-1-[1-[(1S)-1-[1-[(1S)-1-[1-[(1S)-1-(1-[(2S)-1-[(2-ammonioethyl)amino]-1-oxo-3-phenylpropan-2-yl]-1H-1,2,3-triazol-4-yl)-2-phenylethyl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]-2-phenylethanamine
-
-
(1S)-1-[1-[(1S)-1-[1-[(1S)-1-[1-[(1S)-1-[1-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]-2-phenylethanaminium
-
-
(1S)-2-methyl-1-[1-[(1S)-1-[1-[(1S)-1-[1-[(1S)-2-methyl-1-[1-[(1R)-1-phenylethyl]-1H-1,2,3-triazol-4-yl]propyl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]propan-1-amine
-
-
(1S)-2-methyl-1-[1-[(1S)-2-methyl-1-[1-[(1S)-1-[1-[(1S)-2-methyl-1-[1-[(1R)-1-phenylethyl]-1H-1,2,3-triazol-4-yl]propyl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]propyl]-1H-1,2,3-triazol-4-yl]propan-1-amine
-
-
(1S)-2-methyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]-1H-1,2,3-triazol-4-yl]ethyl]-1H-1,2,3-triazol-4-yl]ethyl]-1H-1,2,3-triazol-4-yl]propan-1-aminium
-
-
(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]-1H-1,2,3-triazol-4-yl]ethyl]-1H-1,2,3-triazol-4-yl]ethyl]-1H-1,2,3-triazol-4-yl]ethanaminium
-
-
(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]-1H-1,2,3-triazol-4-yl]ethyl]-1H-1,2,3-triazol-4-yl]ethyl]-1H-1,2,3-triazol-4-yl]ethyl]-1H-1,2,3-triazol-4-yl]ethanamine
-
-
(2E)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]propyl]-4,4,4-trifluoro-3-methylbut-2-enamide
-
broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
(2E)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]propyl]-4-oxopent-2-enamide
-
-
(2E)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(5-methylisoxazol-4-yl)sulfonyl](thiophen-2-ylmethyl)amino]propyl]-4,4,4-trifluoro-3-methylbut-2-enamide
-
-
(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide
-
-
(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(2R,5S)-2-hydroxy-5-methylcyclopentyl]amino]-5-oxopentyl]-N-tert-butyl-4-(3-pyridin-3-ylpropanoyl)piperazine-2-carboxamide
-
-
(2S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]propyl]-2-hydroxy-3-methylbutanamide
-
-
(2S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](pentyl)amino]propyl]-2-hydroxy-3-methylbutanamide
-
-
(2S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]propyl]-2-hydroxy-3-methylbutanamide
-
-
(2S)-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl]-2-hydroxy-3-methylbutanamide
-
-
(2S)-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl]-2,3-dimethylbutanamide
-
-
(2S)-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-1-benzyl-2-hydroxypropyl]-2-hydroxy-3-methylbutanamide
-
broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
(2S)-N-[(1S,2R,3S,4S)-1-benzyl-2,3-dihydroxy-4-[[(2S)-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanoyl]amino]-5-phenylpentyl]-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide
-
-
(2S)-N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanoyl]amino]-5-phenylpentyl]-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide
-
-
(2S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-hydroxy-3-methylbutanamide
-
-
(2S)-N-[(4S,7S,10S,11R,12R,13S)-10-benzyl-11,12-dihydroxy-4-(naphthalen-1-ylmethyl)-2,2-dioxido-5,8-dioxo-14-phenyl-7-(propan-2-yl)-2l6-thia-3,6,9-triazatetradecan-13-yl]-3-methyl-2-[[(2S)-2-[(methylsulfonyl)amino]-3-(naphthalen-1-yl)propanoyl]amino]butanamide)
-
-
(2S,2'S)-N,N'-[(2R,3R)-2,3-dihydroxybutane-1,4-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3-methylbutanamide)
-
-
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-1,6-bis(1,3-benzodioxol-5-yl)-3,4-dihydroxyhexane-2,5-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3-methylbutanamide)
-
-
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-1,6-bis(2,4-dimethoxyphenyl)-3,4-dihydroxyhexane-2,5-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3-methylbutanamide)
-
-
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-bis(4-hydroxyphenyl)hexane-2,5-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3-methylbutanamide)
-
-
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanamide)
-
-
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]amino]-3-methylbutanamide)
-
-
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]-3-methylbutanamide)
-
-
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(4-methoxybenzyl)propanoyl]amino]-3-methylbutanamide)
-
-
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3,3-dimethylbutanamide)
-
-
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3-methylbutanamide)
-
-
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]pentanamide)
-
-
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[3-(tert-butylsulfonyl)propanoyl]amino]-3-methylbutanamide)
-
-
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(3-methyl-2-[[(naphthalen-1-yloxy)acetyl]amino]butanamide)
-
-
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(3-methyl-2-[[3-(pyridin-4-ylsulfonyl)propanoyl]amino]butanamide)
-
-
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide)
-
-
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis[2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3-(1H-imidazol-4-yl)propanamide]
-
-
(2S,2'S)-N,N'-[(2S,3S,4S,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide)
-
-
(2S,2'S)-N,N'-[(3S,4R,5R,6S)-4,5-dihydroxy-1,8-di(pyridin-4-yl)octane-3,6-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3-methylbutanamide)
-
-
(2S,2'S)-N,N'-[(3S,4R,5R,6S)-4,5-dihydroxy-1,8-diphenyloctane-3,6-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3-methylbutanamide)
-
-
(2S,2'S)-N,N'-[(6S,7R,8R,9S)-7,8-dihydroxytetradecane-6,9-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3-methylbutanamide)
-
-
(2S,2'S)-N1,N1'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]butanediamide)
-
-
(2S,3S,4S,5S)-2,5-bis[N-[N-[[N-methyl-N-(2-pyridinylmethyl)amino]carbonyl]valinyl] amino]-1,6-dicyclohexylhexane-3,4-diol
-
compound has an improved response to V82A mutant enzyme
(2S,3S,4S,5S)-2,5-bis[N-[N-[[N-methyl-N-(2-pyridinylmethyl)amino]carbonyl]valinyl] amino]-1,6-diphenylhexane-3,4-diol
-
-
(2S,3S,4S,5S)-2,5-bis[N-[N-[[N-methyl-N-(2-pyridinylmethyl)amino]carbonyl]valinyl] amino]-6-cyclohexyl-1-phenylhexane-3,4-diol
-
compound has an improved response to V82A mutant enzyme
(2S,4S)-2-[(1R)-2-(benzylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl]-N-[(1S)-1-hydroxy-2-phenylethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
(2S,4S)-N-[(1R,2R)-4-[(1H-benzimidazol-2-ylmethyl)amino]-1-benzyl-2-hydroxy-4-oxobutyl]-2-[(1R)-1-(benzylcarbamoyl)-3-oxo-4-phenylbutyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
(2Z)-4,4,4-trifluoro-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]butan-2-yl]-3-methylbut-2-enamide
-
-
(3aR,4R,7aS)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
-
-
(3aR,5r,6aS)-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl [(2S,3S)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
-
-
(3aR,7aR)-octahydro-1-benzofuran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
-
-
(3aR,7aR)-octahydro-1H-inden-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
-
-
(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
-
-
(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
-
-
(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
-
-
(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(2S,3S)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
-
-
(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl-(2S,3R)-3-hydroxy-4-(4-methoxy-N-(((R)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-1-phenylbutan-2-ylcarbamate
-
-
(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl-(2S,3R)-3-hydroxy-4-(4-methoxy-N-(((S)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-1-phenylbutan-2-ylcarbamate
-
-
(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl-(2S,3R)-4-(4-amino-N-(((R)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate
-
-
(3aS,5R,7aR)-hexahydro-4H-furo[2,3-b]pyran-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
-
-
(3R)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]propyl]-3-hydroxypentanamide
-
-
(3R)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](pentyl)amino]propyl]-3-hydroxypentanamide
-
-
(3R)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]propyl]-3-hydroxypentanamide
-
-
(3R)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(5-methylisoxazol-4-yl)sulfonyl](thiophen-2-ylmethyl)amino]propyl]-3-methylpent-4-enamide
-
-
(3R)-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl]-3-hydroxypentanamide
-
-
(3R)-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl]-3-hydroxypentanamide
-
-
(3R)-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-1-benzyl-2-hydroxypropyl]-3-hydroxypentanamide
-
-
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-(13-methoxy-1,1-dioxido-3,4,5,6,7,8,9,10-octahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl)-1-phenylbutan-2-yl]carbamate
-
GRL-246
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-[(2-methylpropyl)([1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-6-yl]sulfonyl)amino]-1-phenylbutan-2-yl]carbamate
-
-
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-[(7Z)-12-methoxy-1,1-dioxido-4,5,6,9-tetrahydro-10,1,2-benzoxathiazacyclododecin-2(3H)-yl]-1-phenylbutan-2-yl]carbamate
-
GRL-396
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-[(7Z)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]-1-phenylbutan-2-yl]carbamate
-
GRL-216, blocks dimerization
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-[(7Z)-14-methoxy-1,1-dioxido-4,5,6,9,10,11-hexahydro-12,1,2-benzoxathiazacyclotetradecin-2(3H)-yl]-1-phenylbutan-2-yl]carbamate
-
GRL-286, blocks dimerization
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
-
-
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S)-3-hydroxy-4-[(4R)-4-[[4-(hydroxymethyl)-2-methylbenzyl]carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-4-oxo-1-phenylbutan-2-yl]carbamate
-
-
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S)-4-[(4R)-4-[(4-amino-2-methylbenzyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
-
-
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
-
-
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl(2S,3R)-3-hydroxy-4-(4-methoxy-N-(((S)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-1-phenylbutan-2-yl-carbamate
-
-
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl(2S,3R)-4-(4-amino-N-(((S)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate
-
-
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl-(2S,3R)-3-hydroxy-4-(4-methoxy-N-(((R)-2-oxooxazolidin-4-yl)methyl)phenylsulfonamido)-1-phenylbutan-2-ylcarbamate
-
-
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl-(2S,3R)-3-hydroxy-4-(4-methoxy-N-(((R)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-1-phenylbutan-2-ylcarbamate
-
-
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl-(2S,3R)-3-hydroxy-4-(4-methoxy-N-(((S)-2-oxooxazolidin-4-yl)methyl)phenylsulfonamido)-1-phenylbutan-2-ylcarbamate
-
-
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl-(2S,3R)-4-(4-amino-N-(((R)-2-oxooxazolidin-4-yl)methyl)phenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate
-
-
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl-(2S,3R)-4-(4-amino-N-(((R)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate
-
-
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl-(2S,3R)-4-(4-amino-N-(((S)-2-oxooxazolidin-4-yl)methyl)phenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate
-
-
(3R,4aR,8aR)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)carbonyl]amino]-4-(phenylsulfanyl)butyl]decahydroisoquinoline-3-carboxamide
-
-
(3R,4aR,8aR)-N-tert-butyl-2-[(R)-2-hydroxy-3-(N-(2-phenylethyl)-4-aminophenylsulfonamido)propyl]decahydroisoquinoline-3-carboxamide
-
-
(3R,4aR,8aR)-N-tert-butyl-2-[(R)-2-hydroxy-3-(N-isobutyl-3-aminophenylsulfonamido)propyl]decahydroisoquinoline-3-carboxamide
-
-
(3R,4aR,8aR)-N-tert-butyl-2-[(R)-2-hydroxy-3-(N-isobutyl-4-aminophenylsulfonamido)propyl]decahydroisoquinoline-3-carboxamide
-
-
(3R,4aR,8aR)-N-tert-butyl-2-[(R)-2-hydroxy-3-(N-propyl-4-aminophenylsulfonamido)propyl]decahydroisoquinoline-3-carboxamide
-
-
(3R,4S,5S,6S)-2,7-dibenzyl-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-4,5-diol 1,1-dioxide
-
-
(3R,6S,9S,10R,11R,12S,15S,18R)-3,9,12,18-tetrabenzyl-10,11-dihydroxy-4,7,14,17-tetraoxo-6,15-di(propan-2-yl)-5,8,13,16-tetraazaicosane-1,20-dioic acid
-
-
(3S)-tetrahydrofuran-3-yl [(2S,3R)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
-
-
(3S)-tetrahydrofuran-3-yl [(2S,3S)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
-
-
(3S,4aS,8aS)-2-((2R,3S)-4-(benzo[b]thiophen-2-yl)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)butyl)-N-tert-butyldecahydroisoquinoline-3-carboxamide
-
-
(3S,4aS,8aS)-N-tert-butyl-2-((2R,3R)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-3-(4-phenylthiophen-2-yl)propyl)decahydroisoquinoline-3-carboxamide
-
-
(3S,4aS,8aS)-N-tert-butyl-2-((2R,3S)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(4-phenylthiophen-2-yl)butyl)decahydroisoquinoline-3-carboxamide
-
-
(3S,4aS,8aS)-N-tert-butyl-2-((2R,3S)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(thiophen-2-yl)butyl)decahydroisoquinoline-3-carboxamide
-
-
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(thiophen-2-yl)butyl]decahydroisoquinoline-3-carboxamide
-
-
(3S,4S)-3-((benzyl[(2-bromo-4,5-dimethoxyphenyl)carbonyl]amino)methyl)-4-(([2-(2,4-dichlorophenyl)ethyl](4-phenylbutanoyl)amino)methyl)pyrrolidinium
-
IC50 is 0.0198 mM, binding structure analysis, modelling
(3S,4S)-3-((benzyl[(2-bromo-4,5-dimethoxyphenyl)carbonyl]amino)methyl)-4-(([2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino)methyl)pyrrolidinium
-
IC50 is 0.0221 mM, binding structure analysis, modelling
(4-[4-hydroxy-2-oxo-3-[(2-phenylethyl)sulfanyl]-2H-pyran-6-yl]phenoxy)acetic acid
-
-
(4aR,7aS)-octahydrocyclopenta[b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
-
-
(4aS,7aR)-hexahydro-2H-furo[3,4-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
-
-
(4R)-3-[(2S,3S)-2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)carbonyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide
-
-
(4R)-4-([[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]oxy)-L-prolinamide
-
-
(4R)-4-([[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]oxy)-N-(2,5-dimethoxyphenyl)-L-prolinamide
-
-
(4R)-4-([[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]oxy)-N-(2-methoxyphenyl)-L-prolinamide
-
-
(4R)-4-([[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]oxy)-N-(3,4,5-trimethoxyphenyl)-L-prolinamide
-
-
(4R)-4-([[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]oxy)-N-(3-methoxyphenyl)-L-prolinamide
-
-
(4R)-4-([[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]oxy)-N-(4-methoxyphenyl)-L-prolinamide
-
-
(4R)-4-([[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]oxy)-N-(4-methylphenyl)-L-prolinamide
-
-
(4R)-4-([[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]oxy)-N-phenyl-L-prolinamide
-
-
(4R)-4-([[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]oxy)-N-tert-butyl-L-prolinamide
-
-
(4R)-N-tert-butyl-3-[(2S,3S)-3-([(2,6-dimethylphenoxy)acetyl]amino)-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
(4R,5S,6S,7S)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(phenoxymethyl)-1,3-diazepan-2-one
-
-
(5R)-1,3-dioxepan-5-yl [(2S,3S)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
-
-
(5R)-4-hydroxy-5-(hydroxymethyl)-3-(13-methyltetradecanoyl)furan-2(5H)-one
-
-
(5R)-4-hydroxy-5-(hydroxymethyl)-3-(14-methylhexadecanoyl)furan-2(5H)-one
-
-
(5R)-4-hydroxy-5-(hydroxymethyl)-3-pentadecanoylfuran-2(5H)-one
-
-
(5R)-4-hydroxy-5-(hydroxymethyl)-3-tetradecanoylfuran-2(5H)-one
-
-
(5S)-3-(2,4-difluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-3-(2,4-difluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-3-(3,4-difluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-3-(3-aminophenyl)-N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)-(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-oxooxazolidine-5-carboxamide
-
-
-
(5S)-3-(3-aminophenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-3-(3-aminophenyl)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-3-(3-fluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-3-(4-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-3-(4-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-3-(4-acetylphenyl)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-3-(4-fluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-3-(4-fluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-3-[3-(acetylamino)phenyl]-N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)-propyl]-2-oxooxazolidine-5-carboxamide
-
-
-
(5S)-3-[3-(acetylamino)phenyl]-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-3-[3-(acetylamino)phenyl]-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(1R,2S)-1-benzyl-3-[(4S)-7-fluoro-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]-2-hydroxypropyl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
-
-
-
(5S)-N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)(2-methylpropyl)-amino]-2-hydroxy-1-((phenylmethyl)propyl)aminocarbonyl]-2-oxo-((3-oxazolidinyl)phenyl)carbamic acid methyl ester
-
-
-
(5S)-N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)(2-methylpropyl)-amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-(3-nitrophenyl)-2-oxooxazolidine-5-carboxamide
-
-
-
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-(3-nitrophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-[3-(methylsulfonyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(3-nitrophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-[3-(methylsulfonyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-[3-(methylsulfonyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S,8S,11S,12R,13R,14S,17S)-11,14-dibenzyl-17-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-8-(2-carboxyethyl)-12,13-dihydroxy-2,2-dimethyl-5-(naphthalen-1-ylmethyl)-6,9,16-trioxo-3l6-thia-7,10,15-triazaicosan-20-oic acid 3,3-dioxide
-
-
(6R)-4-hydroxy-3-[[5-methyl-2-(propan-2-yl)phenyl]sulfanyl]-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
-
-
(6S)-4-hydroxy-3-[[5-methyl-2-(propan-2-yl)phenyl]sulfanyl]-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
-
-
(hydroxyethyl)amide isostere
-
-
-
(R)-1-benzyl-3-(1-benzyl-2-oxo-ethyl)-1-piperidin-1-yl-urea
-
-
(R)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(3,4-methylenedioxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
(R)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(3-methoxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
(R)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(4-ethoxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
(R)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(4-methoxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
(R)-N-(2-methylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(3,4-methylenedioxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
(R)-N-(2-methylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(3-methoxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
(R)-N-(2-methylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(4-ethoxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
(R)-N-(2-methylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(4-methoxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
(R)-N1-((1R,2R)-3-((3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2-(1H)-yl)-2-hydroxy-1-(4-phenylthiophen-2-yl)propyl)-2-(quinoline-2-carboxamido)succinamide
-
-
(R)-N1-((2S,3R)-1-(benzo[b]thiophen-2-yl)-4-((3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl)-3-hydroxybutan-2-yl)-2-(quinoline-2-carboxamido)succinamide
-
-
(R)-N1-((2S,3R)-4-((3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl)-2-hydroxy-1-(thiophen-2-yl)propyl)-2-(quinoline-2-carboxamido)succinamide
-
-
(R)-N1-((2S,3R)-4-((3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl)-3-hydroxy-1-(4-phenylthiophen-2-yl)butan-2-yl)-2-(quinoline-2-carboxamido)succinamide
-
-
(R)-N1-((2S,3R)-4-((3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl)-3-hydroxy-1-(thiophen-2-yl)butan-2-yl)-2-(quinoline-2-carboxamido)succinamide
-
-
(S)-1-benzyl-3-(1-benzyl-2-oxo-ethyl)-1-piperidin-1-yl-urea
-
-
(S)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(3-methoxyphenyl)-butanoyl]-3,3-dimethylpyrrolidine-2-carboxamide
-
-
(S)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(4-ethoxyphenyl)-butanoyl]-3,3-dimethylpyrrolidine-2-carboxamide
-
-
(S)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(4-methoxyphenyl)-butanoyl]-3,3-dimethylpyrrolidine-2-carboxamide
-
-
(S,2S,2'S,3R,3'R)-N,N'-((2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl)bis(2-((S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanamido)-3-hydroxybutanamide)
-
-
(S,2S,2'S,3R,3'R)-N,N'-((2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl)bis(2-((S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanamido)-3-methylpentanamide)
-
-
(S,S)-1-[1-benzyl-3-(1-benzyl-2-oxo-ethyl)-ureido]-pyrrolidine-2-carboxylic acid tert-butylamide
-
-
(S,S,S,S)-1-[1-benzyl-3-(1-benzyl-2-oxo-ethyl)-ureido]-pyrrolidine-2-carboxylic acid [1-(1-tert-butylcarbamoyl-2-methyl-propylcarbamoyl)-2-methyl-butyl]-amide
-
-
1,3,4,7-tetrabenzyl-5,6-dihydroxy-1,3-diazepan-2-one
-
-
1-(4-Chloro-phenyl)-propane-1,2-dione 1-oxime
-
slightly inhibitory
1-(benzyl[[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoyl]amino)-L-prolyl-N-tert-butyl-L-valinamide
-
-
1-Chloro-3-(4-chloro-phenyl)-propan-2-one
-
slightly inhibitory
1-[(1S)-2-methyl-1-[1-[(1S)-1-[1-[(1S)-1-[1-[(1S)-2-methyl-1-[1-[(1R)-1-phenylethyl]-1H-1,2,3-triazol-4-yl]propyl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]propyl]-4-(2-phenylethyl)-1H-1,2,3-triazole
-
-
1-[(3R)-3-benzyl-3-([N-[(benzyloxy)carbonyl]-L-valyl]amino)-4-oxobutyl]-L-prolyl-N-tert-butyl-L-valinamide
-
-
1-[(3R)-3-benzyl-3-([N-[(benzyloxy)carbonyl]-L-valyl]amino)-4-oxobutyl]-N-tert-butyl-L-prolinamide
-
-
1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-4-(4-oxo-4H-chromene-2-carbonyl)-piperazine-2-carboxylic acid tert-butylamide
-
IC50: 0.13 nM
1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-4-(naphthalen-2-yloxy)-pyrrolidine-2-carboxylic acid tert-butylamide
-
IC50: 18 nM
1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-4-(quinoline-8-sulfonyl)-piperazine-2-carboxylic acid tert-butylamide
-
IC50: 0.03 nM
1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-4-pyridin-3-ylmethyl-piperazine-2-carboxylic acid tert-butylamide
-
IC50: 0.41 nM
1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-piperazine-2-carboxylic acid tert-butylamide
-
IC50: 38 nM
1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-piperidine-2-carboxylic acid tert-butylamide
-
IC50: 80 nM
1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-pyrrolidine-2-carboxylic acid tert-butylamide
-
IC50: 350 nM
2'-([4-[3-(4-bromophenyl)propanoyl]phenyl]acetyl)biphenyl-2-carboxylic acid
-
-
2,3,4,5,5-pentahydroxy-N-[(2S,5S,8S,9R,10R,11S,14S,17S)-8,11,17-tribenzyl-9,10,20,21,22,23,23-heptahydroxy-3,6,13,16,19-pentaoxo-1-phenyl-5,14-di(propan-2-yl)-4,7,12,15,18-pentaazatricosan-2-yl]pentanamide
-
-
2,5-bis[[(2S)-2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-2-cyclohexylacetyl]amino]-1,2,5,6-tetradeoxy-1,6-diphenyl-L-iditol
-
-
2,5-bis[[(2S)-2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-2-cyclopentylacetyl]amino]-1,2,5,6-tetradeoxy-1,6-diphenyl-L-iditol
-
-
2,6-dimethylphenoxyacetyl-Phe-PSI(S,R,S)[OH]-Phe-2,6-dimethylphenoxyacetyl
-
IC50: 25 nM
2,6-dimethylphenoxyacetyl-Phe-PSI(S,S,S)[OH]-Phe-2,6-dimethylphenoxyacetyl
-
IC50: 28 nM
2-(2,5-dichlorobenzoyl)-4,5-dihydroxybenzoic acid
-
-
2-(2-{5-[2-(2-amino-propionylamino)-propionylamino]-4-hydroxy-2,6-diphenyl-hexanoylamino}-3-methyl-butyrylamino)-3-methyl-butyric acid methyl ester
-
-
2-(2-{5-[2-(2-amino-propionylamino)-propionylamino]-4-hydroxy-2-methyl-6-phenyl-hexanoylamino}-3-methyl-butyrylamino)-3-methyl-butyric acid methyl ester
-
-
2-(2-{5-[2-(2-amino-propionylamino)-propionylamino]-4-hydroxy-6-phenyl-2-propyl-hexanoylamino}-3-methyl-butyrylamino)-3-methyl-butyric acid methyl ester
-
-
2-(2-{5-[2-(2-amino-propionylamino)-propionylamino]-4-hydroxy-6-phenyl-hexanoylamino}-3-methyl-butyrylamino)-3-methyl-butyric acid methyl ester
-
-
2-(3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyethyl 5-cyclohexylpentanoate
-
-
2-(4-chlorophenyl)-7-hydroxyquinoline-4-carboxylic acid
-
-
2-hydroxy-6-pentadecylbenzoic acid
-
isolated from the CH2Cl2 extracts of the sacrotestas of Ginkgo biloba
2-hydroxy-6-[(8Z)-pentadec-8-en-1-yl]benzoic acid
-
isolated from the CH2Cl2 extracts of the sacrotestas of Ginkgo biloba
2-hydroxyphenoxyacetyl-Phe-PSI(S,R,S)[OH]-Phe-2-hydroxyphenoxyacetyl
-
IC50: 0.009 mM
2-hydroxyphenoxyacetyl-Phe-PSI(S,S,S)[OH]-Phe-2-hydroxyphenoxyacetyl
-
IC50: 0.007 mM
2-O-acetyldryopteric acid A
-
inhibitor isolated from Dryopteris crassirhizoma
2-O-acetyldryopteric acid B
-
inhibitor isolated from Dryopteris crassirhizoma
2-[(10Z)-heptadec-10-en-1-yl]-6-hydroxybenzoic acid
-
isolated from the CH2Cl2 extracts of the sacrotestas of Ginkgo biloba
3,3,3-Tribromo-1-(2-methoxy-phenyl)-propane-1,2-dione 1-oxime
-
highly inhibitory
3,3-Dibromo-1-phenyl-propane-1,2-dione 1-oxime
-
highly inhibitory
3,4-dihydroxy-N-[(2S,3R)-3-hydroxy-4-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]benzamide
-
-
3-(2,5-diethoxyphenylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-1-yloxy)methyl)-6-phenylpyran-2-one
-
most potent inhibitor
-
3-(2,5-diethoxyphenylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-2-yloxy)methyl)-6-phenylpyran-2-one
-
-
-
3-(2,5-diethoxyphenylthio)-5,6-dihydro-4-hydroxy-6-phenyl-6-((phenylthio)methyl)pyran-2-one
-
-
-
3-(2,5-dimethylphenylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-1-yloxy)methyl)-6-phenylpyran-2-one
-
-
-
3-(2,5-dimethylphenylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-2-yloxy)methyl)-6-phenylpyran-2-one
-
-
-
3-(2,5-dimethylphenylthio)-5,6-dihydro-4-hydroxy-6-phenyl-6-((phenylthio)methyl)pyran-2-one
-
-
-
3-(2-chlorophenylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-1-yloxy)methyl)-6-phenylpyran-2-one
-
-
-
3-(2-chlorophenylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-2-yloxy)methyl)-6-phenylpyran-2-one
-
-
-
3-(2-chlorophenylthio)-5,6-dihydro-4-hydroxy-6-phenyl-6-((phenylthio)methyl)pyran-2-one
-
-
-
3-(2-ethylphenylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-1-yloxy)methyl)-6-phenylpyran-2-one
-
-
-
3-(2-ethylphenylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-2-yloxy)methyl)-6-phenylpyran-2-one
-
-
-
3-(2-ethylphenylthio)-5,6-dihydro-4-hydroxy-6-phenyl-6-((phenylthio)methyl)pyran-2-one
-
-
-
3-(4,8-dimethyl-3,7-nonadienyl)-(5R)-(2,5-dihydroxyphenyl)-2(5H)-furanone
-
ganomycin I
3-(benzylsulfanyl)-4-hydroxy-6,6-diphenyl-5,6-dihydro-2H-pyran-2-one
-
-
3-(benzylsulfanyl)-4-hydroxy-6-phenyl-2H-pyran-2-one
-
-
3-(benzylsulfanyl)-4-hydroxy-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
-
-
3-(benzylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-1-yloxy)methyl)-6-phenylpyran-2-one
-
-
-
3-(benzylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-2-yloxy)methyl)-6-phenylpyran-2-one
-
-
-
3-(benzylthio)-5,6-dihydro-4-hydroxy-6-phenyl-6-((phenylthio)methyl)pyran-2-one
-
-
-
3-(o-tolylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-1-yloxy)methyl)-6-phenylpyran-2-one
-
-
-
3-(o-tolylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-2-yloxy)methyl)-6-phenylpyran-2-one
-
-
-
3-(o-tolylthio)-5,6-dihydro-4-hydroxy-6-phenyl-6-((phenylthio)methyl)pyran-2-one
-
-
-
3-benzyl-4-hydroxy-2H-chromen-2-one
-
-
3-Chloro-1-(4-chloro-phenyl)-propane-1,2-dione 1-oxime
-
highly inhibitory
3-fluoro-N-[(2S,3R)-3-hydroxy-4-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]-2-methylbenzamide
-
-
3-pentadecylphenol
-
isolated from the CH2Cl2 extracts of the sacrotestas of Ginkgo biloba
3-tert-Butylcarbamoyl-4-[2-hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-piperazine-1-carboxylic acid benzyl ester
-
0.35-0.37 nM
3-tridecylphenol
-
isolated from the CH2Cl2 extracts of the sacrotestas of Ginkgo biloba
3-[(10Z)-heptadec-10-en-1-yl]phenol
-
isolated from the CH2Cl2 extracts of the sacrotestas of Ginkgo biloba
3-[(2-tert-butyl-5-methylphenyl)sulfanyl]-4-hydroxy-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
-
-
3-[(2-tert-butylphenyl)sulfanyl]-4-hydroxy-6-phenyl-2H-pyran-2-one
-
-
3-[(2-tert-butylphenyl)sulfanyl]-4-hydroxy-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
-
-
3-[(8Z)-pentadec-8-en-1-yl]phenol
-
isolated from the CH2Cl2 extracts of the sacrotestas of Ginkgo biloba
3-[(benzylsulfanyl)(phenyl)methyl]-4-hydroxy-6-phenyl-2H-pyran-2-one
-
-
3-[1-(benzylsulfanyl)-2-cyclopropylethyl]-4-hydroxy-6-phenyl-2H-pyran-2-one
-
-
3-[1-(benzylsulfanyl)-3-methylbutyl]-4-hydroxy-6-phenyl-2H-pyran-2-one
-
-
3-[1-(cyclohexylsulfanyl)-2-cyclopropylethyl]-4-hydroxy-6-phenyl-2H-pyran-2-one
-
-
3-[1-(cyclopentylsulfanyl)-2-cyclopropylethyl]-4-hydroxy-6-phenyl-2H-pyran-2-one
-
-
3-[1-(cyclopentylsulfanyl)-3-methylbutyl]-4-hydroxy-6-phenyl-2H-pyran-2-one
-
-
3-[cyclopentyl(cyclopentylsulfanyl)methyl]-4-hydroxy-6-phenyl-2H-pyran-2-one
-
-
4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis(benzylsulfamoyl)]dibenzamide
-
-
4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis[[4-(trifluoromethyl)benzyl]sulfamoyl]]dibenzamide
-
-
4,7-dibenzyl-1,3-bis(2-chlorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis(2-ethoxyethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis(2-fluorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis(3,3-dimethylbutyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis(3-bromobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis(3-chlorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis(3-fluorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis(4-bromobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis(4-chlorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis(4-fluorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis(cyclobutylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis(cyclohexylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis(cyclopentylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis(cyclopropylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis[2-(ethenyloxy)ethyl]-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-dibutyl-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-diethyl-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-diheptyl-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-dihexyl-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1-decyl-5,6-dihydroxy-3-nonyl-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methoxybenzyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methoxyethyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methylprop-2-en-1-yl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methylpropyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-hydroxybenzyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-iodobenzyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methoxybenzyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methylbenzyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methylbut-2-en-1-yl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methylbutyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-nitrobenzyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-hydroxybenzyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-methoxybenzyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-methylbenzyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-methylpentyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(5-methylhexyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(naphthalen-1-ylmethyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(naphthalen-2-ylmethyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(pyridin-2-ylmethyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(pyridin-3-ylmethyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(pyridin-4-ylmethyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[2-(2-methoxyethoxy)ethyl]-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[2-(morpholin-4-yl)ethyl]-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[3-(hydroxymethyl)benzyl]-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[3-(trifluoromethyl)benzyl]-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-one
-
DMP323; enantiomer of DMP323
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(trifluoromethyl)benzyl]-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-di(prop-2-en-1-yl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-di(prop-2-yn-1-yl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-dimethyl-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-dipentyl-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-dipropyl-1,3-diazepan-2-one
-
-
4,7-dihydroxy-3-[4-(2-methoxyphenyl)butyl]-2H-chromen-2-one
-
-
4-acetylphenoxyacetyl-Phe-PSI(S,R,S)[OH]-Phe-4-acetylphenoxyacetyl
-
IC50: 0.023 mM
4-acetylphenoxyacetyl-Phe-PSI(S,S,S)[OH]-Phe-4-acetylphenoxyacetyl
-
IC50: 0.019 mM
4-amino-N-[(2R,3S)-3-{[(aminooxy)carbonyl]amino}-2-hydroxy-4-phenylbutyl]-N-{[(2S)-5-oxopyrrolidin-2-yl]methyl}benzenesulfonamide
-
-
4-Benzyl-1-[2-hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-piperazine-2-carboxylic acid tert-butylamide
-
IC50: 2.0 mM
4-formylphenoxyacetyl-Phe-PSI(S,R,S)[OH]-Phe-4-acetylphenoxyacetyl
-
IC50: 0.08 mM
4-formylphenoxyacetyl-Phe-PSI(S,S,S)[OH]-Phe-4-acetylphenoxyacetyl
-
IC50: 0.068 mM
4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one
-
-
4-hydroxy-3-(3-phenoxypropyl)-2H-chromen-2-one
-
-
4-hydroxy-3-(4-phenylbutyl)-2H-chromen-2-one
-
-
4-hydroxy-3-[(2-methylphenyl)sulfanyl]-6-phenyl-2H-pyran-2-one
-
-
4-hydroxy-3-[(2-methylphenyl)sulfanyl]-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
-
-
4-hydroxy-3-[3-(phenylsulfanyl)propyl]-2H-chromen-2-one
-
-
4-hydroxy-3-[3-methyl-1-(phenylsulfanyl)butyl]-6-phenyl-2H-pyran-2-one
-
-
4-hydroxy-3-[4-(2-methoxyphenyl)butyl]-2H-chromen-2-one
-
-
4-hydroxy-6-(3-methylbutyl)-6-phenyl-3-[(2-phenylethyl)sulfanyl]-5,6-dihydro-2H-pyran-2-one
-
-
4-hydroxy-6-(3-methylphenyl)-3-[[2-(propan-2-yl)phenyl]sulfanyl]-2H-pyran-2-one
-
-
4-hydroxy-6-(4-hydroxyphenyl)-3-[(2-phenylethyl)sulfanyl]-2H-pyran-2-one
-
-
4-hydroxy-6-pentyl-6-phenyl-3-[(2-phenylethyl)sulfanyl]-5,6-dihydro-2H-pyran-2-one
-
-
4-hydroxy-6-phenyl-3-(phenylsulfanyl)-2H-pyran-2-one
-
-
4-hydroxy-6-phenyl-3-[(2-phenylethyl)sulfanyl]-2H-pyran-2-one
-
-
4-hydroxy-6-phenyl-3-[(2-phenylethyl)sulfanyl]-5,6-dihydro-2H-pyran-2-one
-
-
4-hydroxy-6-phenyl-3-[(2-phenylethyl)sulfanyl]-6-propyl-5,6-dihydro-2H-pyran-2-one
-
-
4-hydroxy-6-phenyl-3-[phenyl(phenylsulfanyl)methyl]-2H-pyran-2-one
-
-
4-hydroxy-6-phenyl-3-[[2-(propan-2-yl)phenyl]sulfanyl]-2H-pyran-2-one
-
-
4-hydroxy-6-phenyl-6-(2-phenylethyl)-3-(phenylsulfanyl)-5,6-dihydro-2H-pyran-2-one
-
-
4-hydroxy-6-phenyl-6-(2-phenylethyl)-3-[[2-(propan-2-yl)phenyl]sulfanyl]-5,6-dihydro-2H-pyran-2-one
-
-
4-hydroxy-7,8-dimethyl-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one
-
-
4-oxo-4H-chromene-2-carboxylic acid (1-{1-benzyl-3-[3-benzyl-1-(2-hydroxy-5-methyl-cyclopentyl)-2-oxo-pyrrolidin-3-yl]-2-hydroxy-propylcarbamoyl}-2-methyl-propyl)-amide
-
IC50: 0.1 nM
4-[[(6-[[(4-aminothiophen-2-yl)carbonyl]amino]-1,3-benzoxazol-2-yl)carbonyl]amino]thiophene-2-carboxylic acid
-
non-competitive
5,5'-dithiobis(2-nitrobenzoic acid)
-
enzyme activity is lost when a mixed disulfide is formed between 5,5'-dithiobis(2-nitrobenzoic acid) and Cys95, the same mixed disulfide at Cys67 reduces activity by 50%. Normal activity can be restored when the enzyme is treated with dithiothreitol
5,6-dihydro-4-hydroxy-6-((naphthalen-1-yloxy)methyl)-6-phenyl-3-(phenylthio)pyran-2-one
-
-
-
5,6-dihydro-4-hydroxy-6-((naphthalen-2-yloxy)methyl)-6-phenyl-3-(phenylthio)pyran-2-one
-
-
-
5,6-dihydro-4-hydroxy-6-phenyl-3-(phenylthio)-6-((phenylthio)methyl)pyran-2-one
-
-
-
5-(3-chlorobenzyl)-1,2-dihydro-3H-pyrazol-3-one
-
-
5-tridecylbenzene-1,3-diol
-
isolated from the CH2Cl2 extracts of the sacrotestas of Ginkgo biloba
5-[(8Z)-pentadec-8-en-1-yl]benzene-1,3-diol
-
isolated from the CH2Cl2 extracts of the sacrotestas of Ginkgo biloba
5-[4-hydroxy-6-oxo-2-phenyl-5-[(2-phenylethyl)sulfanyl]-3,6-dihydro-2H-pyran-2-yl]pentanoic acid
-
-
A-790742
-
50% effective concentration ranges from 2 to 7 nM against wild-type HIV-1. The activity is lowered by approximately 7fold in the presence of 50% human serum. A-790742 maintains potent antiviral activity against lopinavir-resistant variants generated in vitro as well as against a panel of molecular clones containing proteases derived from HIV-1 patient isolates with multiple protease mutations. HIV-1 pNL4-3 clones with a single V82L or I84V mutation are phenotypically resistant to A-790742 and ritonavir
A79285
-
a pseudo-C2 symmetric inhibitor, which contains a central difluoroketone motif
Ac-His-Gly-Trp-Ile-PSI[N-CH(CH2(CH3)2)-CH(OH)-CH2-CH2-C(O)]-Glu-His-Gly-Asp-NH2
-
-
Ac-HMSFNL
-
IC50: 0.19 mM
Ac-QIGMTLNF
-
IC50: 0.44 mM
Ac-RASQNY
-
product inhibition with Ac-SQNYPVV as substrate
Ac-RKIL
-
product inhibition with Ac-RKILFLDG-NH2 as substrate
Ac-SQNY
-
product inhibition with Ac-RASQNYPVV or Ac-SQNYFLDG-NH2 as substrate
Ac-TI-Nle-(CH2-NH)-Nle-QR-amide
-
-
Ac-TLNF
-
IC50: 1.5 mM
Ac-TLNF-NH2
-
IC50 is above 2 mM
Ac-TVSFNF
-
IC50: 0.08 mM
Ace-T-I-Nle-r-Nle-Q-R
-
substrate analogue, competitive inhibition of the HIV-1 protease, mimicks the p2-NC cleavage site
Ace-T-I-Nle-r-Nle-Q-R
-
substrate analogue peptide inhibitor
acetyl pepstatin
-
0.1 mg/ml, 98.5% inhibition
acetyl pepstatin
-
study on impact of active site region aspartyl residues 25 and 29 on the binding by differential scanning calorimetry. Binding is most sensitive to mutantion D25N, with DeltaTm ratio for mutant/wild-type of 16.3. Binding is nearly abolished by the mutation D29N
allyl N-[(1R,2S)-1-benzyl-2-hydroxy-3-[(4S)-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]propyl]carbamate
-
-
-
alpha2-Macroglobulin
-
activity with Moloney murrine sarcoma virus-derived gag protein is inhibited at pH 5.5-7.4, activity with B chain of oxidized insulin is scarcely inhibited
-
amprenavir
-
study on impact of active site region aspartyl residues 25 and 29 on the binding by differential scanning calorimetry. Binding is most sensitive to mutantion D25N, with DeltaTm ratio for mutant/wild-type of 35.8
amprenavir
Q7SSE3
less effective on HIV-2 protease than on HIV-1 protease
Arg-Arg
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
Arg-Arg-Leu
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
Arg-Arg-Phe
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
Arg-Glu
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
Arg-Glu-Asp
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
Arg-Glu-Leu
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
Arg-Leu-Ala-Phe
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
Arg-Leu-Asn-Phe
-
IC50: 0.87 mM
atazanavir
-
study on impact of active site region aspartyl residues 25 and 29 on the binding by differential scanning calorimetry
atazanavir
-
study on the use of suboptimal concentrations of inhibitors atazanavir and lopinavir. Even with high levels of inhibition of viral infectivity, IC90, most of the Gag and Gag-Pol polyproteins are processed, although slight but significant increases in processing intermediates of Gag Are detected. Drug treatments cause a significant increase in the proportion of viruses displaying either immature or aberrant mature morphologies. The aberrant mature particles are characterized by an electron-dense region at the viral periphery and an electron-lucent core structure in the viral center. Drug treatments cause only a slight decrease in overall thermodynamic stability of the viral RNA dimer
ATBI
-
aspartic protease inhibitor: Ala-Gly-Lys-Lys-Asp-Asp-Asp-Asp-Pro-Pro-Glu, from Bacillus sp.
BEA369
-
molecular dynamics simulation study on the role of protonation in the protease complex with inhibitor BEA369. Protonation of aspartic acids Asp25/Asp25' has a strong influence on the dynamics behavior of the complex, the binding free energy of BEA369, and inhibitor-residue interactions. Relative binding free energies show that protonation of Asp25 results in the strongest binding of BEA369 to HIV-1 protease. Inhibitor-residue interactions indicate that protonation of Asp25 has the most favorable effect on binding of BEA369. Protonation of Asp25 strongly influences the water-mediated link of a conserved water molecule, Wat301
benzyl [(5S,8S,9R,10R,11S,14S)-8,11-dibenzyl-9,10-dihydroxy-15-methyl-3,6,13-trioxo-1-phenyl-5-(propan-2-yl)-2-oxa-4,7,12-triazahexadecan-14-yl]carbamate
-
-
bis-[(L-valine-N-methylamide)-2-phenyl-3-yl-propionamide] sulfide
-
-
bis-[(L-valine-N-methylamide)-2-phenyl-3-yl-propionamide] sulfoxide
-
-
bis-[(L-valine-N-methylamide)-2-phenyl-3-yl-propionamide] sulfoximine
-
-
bis-[[N-(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-2S-phenyl-3-yl-propionamide] sulfoximine
-
-
bis-[[N-(2R)-phenylglycinol]-2-phenyl-3-yl-propionamide] sulfide
-
-
bis-[[N-(2R)-phenylglycinol]-2-phenyl-3-yl-propionamide] sulfoxide
-
-
bis-[[N-(2R)-phenylglycinol]-2-phenyl-3-yl-propionamide]sulfoximine
-
-
bis-[[N-(2S)-phenylglycinol]-2-phenyl-3-yl-propionamide] sulfide
-
-
bis-[[N-(2S)-phenylglycinol]-2-phenyl-3-yl-propionamide] sulfoxide
-
-
bis-[[N-(2S)-phenylglycinol]-2-phenyl-3-yl-propionamide] sulfoximine
-
-
darunavir
-
mutations in the gag region NC-p1/TFP-p6/p6pol may influence the selection of darunavir resistance mutations. The I437T/V gag mutation that confers resistance to protease inhibitors reduces the selection of such mutations. Virus with L76V in protease or I437T/V in gag may be already resistant to darunavir
darunavir
-
study on impact of active site region aspartyl residues 25 and 29 on the binding by differential scanning calorimetry
dryopteric acid A
-
inhibitor isolated from Dryopteris crassirhizoma
dryopteric acid B
-
inhibitor isolated from Dryopteris crassirhizoma
E-R-Q-A-N-r-F-L-G-K-I
-
substrate analogue, competitive inhibition of the HIV-1 protease, mimicks the NC/p1 cleavage site
ethyl N-[(1R,2S)-1-benzyl-2-hydroxy-3-[(4S)-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]propyl]carbamate
-
-
-
FLREDLAF
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
fullerene C60
-
Bucky Ball'
ganomycin B
-
competitive inhibition
GEDLAF
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
Glu-Arg-Leu
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
Glu-Arg-Leu-Ala
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
Glu-Arg-Phe
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
Glu-Asn-Leu
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
Glu-Glu-Leu
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
Glu-Lys-Phe
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
GRL-98065
-
I50V, V82A and I84V mutant proteins show high levels of resistence
-
IGRNLLTQIGCTLNF
-
IC50: 0.41 mM
indinavir
-
IC50: 1.3 nM
indinavir
-
drug used in AIDS therapy, mechanism of drug resistance, overview
indinavir
-
structural analyses of the subtype C protease bound to nelfinavir and indinavir showed that these inhibitors form similar interactions with the residues in the active site of subtype B and C proteases
indinavir
-
study on impact of active site region aspartyl residues 25 and 29 on the binding by differential scanning calorimetry
indinavir
-
98.8% inhibition at 10 nM
KNI-272
-
transition-state analog
KNI-727
-
potent, small, water-soluble dipeptide-type HIV-1 protease inhibitor
Kyn-(D-alpha-(2-thienyl)glycine)-Phe-PSI(S,R,S)[OH]-Phe-2,6-dimethylphenoxyacetyl
-
IC50: 3 nM
Kyn-Thr-Phe-PSI(S,R,S)[OH]-Phe-2,6-dimethylphenoxyacetyl
-
IC50: 4 nM
Kyn-Val-Phe-PSI(S,R,S)[OH]-Phe-2,6-dimethylphenoxyacetyl
-
IC50: 3 nM
Kyn-Val-Phe-PSI(S,R,S)[OH]-Phe-Val-Kyn
-
IC50: 4 nM
Kyn-Val-Phe-PSI(S,S,S)[OH]-Phe-2,6-dimethylphenoxyacetyl
-
IC50: 3 nM
L-700,417
-
IC50: 0.67 mM
L-704,486
-
IC50: 7.8 nM
Leu-Leu-Glu-Tyr-Val-Met-OH
-
0.1 mg/ml, 47.2% inhibition
Leu-Leu-Glu-Tyr-Val-Phe-OH
-
0.1 mg/ml, 52.3% inhibition
Leu-Leu-Glu-Tyr-Val-Trp-OH
-
0.1 mg/ml, 64.9% inhibition
Leu-Leu-Glu-Tyr-Val-Tyr-OH
-
0.1 mg/ml, 58.6% inhibition
lopinavir
-
computer simulation of comlex with HIV-1 protease
lopinavir
-
study on impact of active site region aspartyl residues 25 and 29 on the binding by differential scanning calorimetry
lopinavir
-
study on the use of suboptimal concentrations of inhibitors atazanavir and lopinavir. Even with high levels of inhibition of viral infectivity, IC90, most of the Gag and Gag-Pol polyproteins are processed, although slight but significant increases in processing intermediates of Gag Are detected. Drug treatments cause a significant increase in the proportion of viruses displaying either immature or aberrant mature morphologies. The aberrant mature particles are characterized by an electron-dense region at the viral periphery and an electron-lucent core structure in the viral center. Drug treatments cause only a slight decrease in overall thermodynamic stability of the viral RNA dimer
lysyl-tRNA synthetase
-
-
-
methyl (7S,10R,16S)-10-benzyl-13-(4-bromobenzyl)-10-hydroxy-7-isopropyl-17,17-dimethyl-6,9,15-trioxo-2-oxa-5,8,13,14-tetraazaoctadecan-16-ylcarbamate
-
-
methyl (7S,10S,16S)-10-benzyl-13-(4-bromobenzyl)-10-hydroxy-7-isopropyl-17,17-dimethyl-6,9,15-trioxo-2-oxa-5,8,13,14-tetraazaoctadecan-16-ylcarbamate
-
-
methyl (S)-1-(2-((R)-3-benzyl-3-hydroxy-4-((S)-3-methyl-1-(methylamino)-1-oxobutan-2-ylamino)-4-oxobutyl)-2-(4-bromobenzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate
-
-
methyl (S)-1-(2-((R)-3-benzyl-4-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-ylamino)-3-hydroxy-4-oxobutyl)-2-(4-bromobenzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate
-
-
methyl (S)-1-(2-((S)-3-benzyl-3-hydroxy-4-((S)-3-methyl-1-(methylamino)-1-oxobutan-2-ylamino)-4-oxobutyl)-2-(4-bromobenzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate
-
-
methyl (S)-1-(2-((S)-3-benzyl-4-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-ylamino)-3-hydroxy-4-oxobutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate
-
-
methyl (S)-1-(2-((S)-3-benzyl-4-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-ylamino)-3-hydroxy-4-oxobutyl)-2-(4-(pyridin-3-yl)benzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate
-
-
methyl (S)-1-(2-((S)-3-benzyl-4-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-ylamino)-3-hydroxy-4-oxobutyl)-2-(4-(pyridin-4-yl)benzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate
-
-
methyl (S)-1-(2-((S)-3-benzyl-4-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-ylamino)-3-hydroxy-4-oxobutyl)-2-(4-bromobenzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate
-
-
methyl 4-[([6-[([4-[(tert-butoxycarbonyl)amino]thiophen-2-yl]carbonyl)amino]-1,3-benzoxazol-2-yl]carbonyl)amino]thiophene-2-carboxylate
-
; non-competitive
methyl [(2S)-1-[2-[(2S)-2-benzyl-2-hydroxy-3-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-oxopropyl]-2-[4-(pyridin-3-yl)benzyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
-
-
methyl [(2S)-1-[2-[(4R)-4-benzyl-4-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-2-[4-(pyridin-4-yl)benzyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
-
-
methyl [3-[(5S)-5-([(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate
-
-
morpholine-4-carboxylic acid (1-{1-benzyl-3-[3-benzyl-1-(2-hydroxy-5-methyl-cyclopentyl)-2-oxo-pyrrolidin-3-yl]-2-hydroxy-propylcarbamoyl}-2-methyl-propyl)-amide
-
IC50: 2.4 nM
N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(4-amino-N-benzylbenzenesulfonamide)
-
-
N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-(4-iodobenzyl)benzenesulfonamide]
-
-
N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(pyridin-4-ylmethyl)propanoyl]amino]-3-methylbutanamide)
-
-
N-(1-{1-benzyl-3-[3-benzyl-1-(2-hydroxy-5-methyl-cyclopentyl)-2-oxo-pyrrolidin-3-yl]-2-hydroxy-propylcarbamoyl}-2-methyl-propyl)-isonicotinamide
-
IC50: 1.3 nM
N-(1-{1-benzyl-3-[3-benzyl-1-(2-hydroxy-5-methyl-cyclopentyl)-2-oxo-pyrrolidin-3-yl]-2-hydroxy-propylcarbamoyl}-2-methyl-propyl)-nicotinamide
-
IC50: 0.8 nM
N-methyl bis-[N-(2,2-dimethyl-8,8a-dihydro-3aH-indeno[(1S,2R)-1,2]-oxazol-3-yl) 2R-benzyl-3-yl propianamide] sulfoximine
-
-
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]propyl]-2-thiophen-3-ylacetamide
-
-
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]propyl]pyridazine-4-carboxamide
-
-
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]propyl]-2,4,5-trifluoro-3-hydroxybenzamide
-
-
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]propyl]-2-methylbenzamide
-
-
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]propyl]-3,4,5-trihydroxybenzamide
-
-
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]propyl]-3,4-dihydroxybenzamide
-
broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]propyl]-3-fluoro-2-methylbenzamide
-
broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]propyl]-3-hydroxybenzamide
-
broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]propyl]-4-oxohexanamide
-
broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]propyl]cyclopropane-1,1-dicarboxamide
-
-
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](pentyl)amino]propyl]-3-hydroxybenzamide
-
-
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](pentyl)amino]propyl]-4-oxohexanamide
-
-
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](pentyl)amino]propyl]cyclopropane-1,1-dicarboxamide
-
-
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]propyl]-3-hydroxybenzamide
-
broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]propyl]-4-oxohexanamide
-
broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]propyl]cyclopropane-1,1-dicarboxamide
-
-
N-[(1S,2R)-1-benzyl-3-[(butylsulfonyl)(3-chlorobenzyl)amino]-2-hydroxypropyl]-2,3-dichlorobenzamide
-
-
N-[(1S,2R)-1-benzyl-3-[(butylsulfonyl)(3-chlorobenzyl)amino]-2-hydroxypropyl]-2-bromo-3-methylbenzamide
-
-
N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl]-3-hydroxybenzamide
-
broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl]-4-oxohexanamide
-
broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl]cyclopropane-1,1-dicarboxamide
-
-
N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl]-3-hydroxybenzamide
-
-
N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl]-4-oxohexanamide
-
-
N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl]cyclopropane-1,1-dicarboxamide
-
-
N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-1-benzyl-2-hydroxypropyl]-3-hydroxybenzamide
-
broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-1-benzyl-2-hydroxypropyl]-4-oxohexanamide
-
broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-1-benzyl-2-hydroxypropyl]cyclopropane-1,1-dicarboxamide
-
-
N-[(2R,6S)-6-[[(4-aminophenyl)sulfonyl](3-methylbutyl)amino]-7-hydroxyheptan-2-yl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
-
-
N-[(2S)-2-[(N-acetylthreonylisoleucyl)amino]hexyl]norleucyl-N-(3-carbamimidamido-1-carbamoylpropyl)-6-oxolysinamide
-
i.e. RPB, nonhydrolyzable substrate analogue. Study on impact of active site region aspartyl residues 25 and 29 on the binding by differential scanning calorimetry. Binding is nearly abolished by the mutation D29N, but hyrdly affected by mutation D25N
N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]-1-phenylbutan-2-yl]-4-oxohexanamide
-
-
N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide
-
-
N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide
-
-
N-[(2S,3R)-4-[(cyclopropylmethyl)(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-N'-methylbutanediamide
-
-
N-[(2S,3R)-4-[(cyclopropylmethyl)[(3-methoxyphenyl)sulfonyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-N'-methylbutanediamide
-
-
N-[(2S,6S)-6-[[(4-aminophenyl)sulfonyl](3-methylbutyl)amino]-7-hydroxyheptan-2-yl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
-
-
N-[(3S,7S)-7-[[(4-aminophenyl)sulfonyl](3-methylbutyl)amino]-1,8-dihydroxyoctan-3-yl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
-
-
N-[(3S,7S)-7-[[(4-aminophenyl)sulfonyl](3-methylbutyl)amino]-8-hydroxy-2-methyloctan-3-yl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
-
-
N-[(3S,7S)-7-[[(4-aminophenyl)sulfonyl](3-methylbutyl)amino]-8-hydroxyoctan-3-yl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
-
-
N-[(4S,8S)-8-[[(4-aminophenyl)sulfonyl](3-methylbutyl)amino]-9-hydroxynonan-4-yl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
-
-
N-[(5S)-5-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-6-hydroxyhexyl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
-
-
N-[(5S)-5-[[(4-aminophenyl)sulfonyl](3-methylbutyl)amino]-6-hydroxyhexyl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
-
-
N1-[1-Benzyl-3-(2-tert-butylcarbamoyl-pyrrolidin-1-yl)-2-methoxy-3-oxo-propyl]-2-[2-(naphthalen-1-yloxy)-acetylamino]-succinamide
-
-
N2-acetyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]propyl]-L-alaninamide
-
broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
N2-acetyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]propyl]-L-valinamide
-
-
N2-acetyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](pentyl)amino]propyl]-L-valinamide
-
-
N2-acetyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]propyl]-L-valinamide
-
-
N2-acetyl-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl]-L-valinamide
-
-
N2-acetyl-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl]-L-valinamide
-
broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
N2-acetyl-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-1-benzyl-2-hydroxypropyl]-L-valinamide
-
-
N2-acetyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]butan-2-yl]-L-alaninamide
-
-
N2-acetyl-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-L-valinamide
-
-
N2-[(2S)-2-[(3R)-5-[(1S)-1-(L-alanylamino)ethyl]-3-benzyl-2,3,6,7-tetrahydro-1H-azepin-1-yl]propanoyl]-N-[(1S,2S,4R)-1-benzyl-2-hydroxy-4-[5-(2-methylpropanoyl)-1H-imidazol-2-yl]-5-phenylpentyl]-L-valinamide
-
-
N2-[(2S,4S,5S)-5-(acetylamino)-6-cyclohexyl-4-hydroxy-2-(1-methylethyl)hexanoyl]-L-glutaminyl-L-argininamide
-
-
nelfinavir
-
IC50: 1.9 nM
nelfinavir
-
structural analyses of the subtype C protease bound to nelfinavir and indinavir showed that these inhibitors form similar interactions with the residues in the active site of subtype B and C proteases
nelfinavir
-
in the HIV-1 protease sequence of viral variants resistant to the inhibitor nelfinavir, the mutations D30N and L90M appear frequently
nelfinavir
-
computer simulation of comlex with HIV-1 protease
nelfinavir
-
study on impact of active site region aspartyl residues 25 and 29 on the binding by differential scanning calorimetry
P27 peptide
-
i.e. PQITLRKKRRQRRRPPQVSFNFCTLNF. Incubation of mutant L10I/K45R/I54V/L63P/A71V/V82T/L90M/I93L with peptide leads to dose- and time-dependent formation of protease monomers, while incubation with a active-site inhibitor does not change the elution profile of the protease. The monomeric protease induced by P27 has fluorescent characteristics consistent with unfolded protein
-
Phe-Asp-Asp-Phe
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
-
Phe-Leu-Asp-Gly
-
product inhibition with Ac-RKILFLDG-NH2 as substrate
-
Phe-Leu-Asp-Gly-NH2
-
product inhibition with Ac-SQNYFLDG-NH2 as substrate
phenoxyacetyl-Phe-PSI(S,R,S)[OH]-Phe-phenoxyacetyl
-
IC50: 0.017 mM
-
phenoxyacetyl-Phe-PSI(S,S,S)[OH]-Phe-phenoxyacetyl
-
IC50: 0.005 mM
-
phenyl N-[(1R,2S)-1-benzyl-2-hydroxy-3-[(4S)-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]propyl]carbamate
-
-
-
pyridin-3-ylmethyl [(5S,8S,9R,10R,11S,14S)-8,11-dibenzyl-9,10-dihydroxy-15-methyl-3,6,13-trioxo-5-(propan-2-yl)-1-(pyridin-3-yl)-2-oxa-4,7,12-triazahexadecan-14-yl]carbamate
-
-
pyridine-2-carboxylic acid (1-{1-benzyl-3-[3-benzyl-1-(2-hydroxy-5-methyl-cyclopentyl)-2-oxo-pyrrolidin-3-yl]-2-hydroxy-propylcarbamoyl}-2-methyl-propyl)-amide
-
IC50: 4.6 nM
pyrrolidinemehylene diamine derivatives
-
binding mode of pyrrolidine-based aspartyl protease inhibitors: design, synthesis and crystal structure in complex with HIV protease, overview
-
R-P-G-N-F-r-L-Q-S-R-P
-
substrate analogue, competitive inhibition of the HIV-1 protease, mimicks the pI-p6 cleavage site
R-V-L-r-F-E-A-Nle
-
substrate analogue, competitive inhibition of the HIV-1 protease, mimicks the CA/p2 cleavage site
R-V-L-r-F-E-A-Nle
-
substrate analogue peptide inhibitor
rac-(3S,4S)-N-benzyl-2-(2,6-dimethyl-phenoxy)-N-4-[[(isobutyl-(toluene-4-sulfonyl)-amino)-methyl]-pyrrolidin-3-ylmethyl]-acetamide
-
IC50 is 0.0121 mM, binding structure analysis, modelling
rac-(3S,4S)-N-[4-([4-amino-benzenesulfonyl-isobutyl-amino]-methyl)-pyrrolidin-3-ylmethyl]-N-benzyl-2-(2,6-dimethyl-phenoxy)-acetamide
-
IC50 is 0.0033 mM, binding structure analysis, modelling
rac-(3S,4S)-N-[4-([benzenesulfonyl-isobutyl-amino]-methyl)-pyrrolidin-3-ylmethyl]-N-benzyl-2-(2,6-dimethyl-phenoxy)-acetamide
-
IC50 is 0.0022 mM, binding structure analysis, modelling
renin inhibitors
-
-
-
ritonavir
-
IC50: 3 nM
ritonavir
-
HIV-1 pNL4-3 clones with a single V82L or I84V mutation are phenotypically resistant to A-790742 and ritonavir
ritonavir
-
study on impact of active site region aspartyl residues 25 and 29 on the binding by differential scanning calorimetry
RTLNLGL
-
IC50 is above 0.8 mM
saquinavir
-
study on impact of active site region aspartyl residues 25 and 29 on the binding by differential scanning calorimetry
schisanlactone A
-
dimerization inhibitor
Ser-Leu-Asn-Phe
-
IC50: 0.47 mM
SFNL
-
IC50: 0.28 mM
SFNLE
-
IC50: 0.31 mM
t-butyl 3-isopropyl-3-(2S,3S)-2-hydroxy-3-(-quinaldoyl-L-asparaginyl)amino-4-phenylbutylcarbazate
-
i.e. DG-35-VIII, inhibits processing of the Pr55gag and Pr160gag-pol precursor proteins
tert-butoxycarbonyl-Phe-psi[CH2CH2NH]-Phe-Glu-Phe-NH2
-
i.e. tert-butoxycarbonyl-Phe-psi[CH2CH2NH]-Phe-Glu-Phe-NH2, an ethyleneamine inhibitor, interactions with the enzyme, overview
tert-butoxycarbonyl-Phe-psi[S-CH(OH)CH2NH]-Phe-Gln-Phe-NH2
-
i.e. tert-butoxycarbonyl-Phe-psi[S-CH(OH)CH2NH]-Phe-Gln-Phe-NH2, a pseudotetrapeptide inhibitor with an acyclic S-hydroxyethylamine isostere, interactions with the enzyme and binding structure, overview
tert-butoxycarbonyl-Phe-psi[S-CH(OH)CH2NH]-Phe-Glu-Phe-NH2
-
i.e. tert-butoxycarbonyl-Phe-psi[S-CH(OH)CH2NH]-Phe-Glu-Phe-NH2, a pseudotetrapeptide inhibitor with an acyclic S-hydroxyethylamine isostere, interactions with the enzyme and binding structure, overview
tert-butoxycarbonyl-Phe-psi[S-CH(OH)CH2]-Phe-Gln-Phe-NH2
-
i.e. tert-butoxycarbonyl-Phe-psi[S-CH(OH)CH2]-Phe-Gln-Phe-NH2, a hydroxyethylene inhibitor, interactions with the enzyme, overview
tert-butyl N-[(1R,2S)-1-benzyl-3-[(4S)-7-fluoro-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]-2-hydroxypropyl]carbamate
-
-
-
tert-butyl N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(4S)-4-methyl-1,1-dioxo-7-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1lambda6,-2-benzothiazepin-2-yl]propyl]carbamate
-
-
-
tert-butyl N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(4S)-4-methyl-1,1-dioxo-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1lambda6,-2-benzothiazepin-2-yl]propyl]carbamate
-
-
-
tert-butyl N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(4S)-7-methoxy-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]propyl]carbamate
-
-
-
Thr-Leu-Asn-Leu
-
IC50: 0.38 mM
Thr-Leu-Asn-Phe-NH2
-
IC50 is above 2 mM
Thr-Leu-Asn-Tyr
-
IC50 is about 1 mM
Thr-Phe-Asn-Phe
-
IC50: 0.45 mM
tipranavir
-
IC50 is 30 nM, interacts with residues Asp25 and Asp25', and Ile50 and Ile50'
tipranavir
-
study on impact of active site region aspartyl residues 25 and 29 on the binding by differential scanning calorimetry
TLNLGF
-
IC50 is above 0.8 mM
U-71017
-
i.e. Poa-His-Cha-PSI[CH(OH)CH2]Val-Ile-Amp
U-71038
-
i.e. Boc-Pro-Phe-Nalpha-MeHis-Leu-PSI[CH(OH)CH2]Val-Ile-Amp
U-75875
-
i.e. Noa-His-Cha-PSI[CH(OH)CH2]Val-Ile-Amp
U-79213
-
i.e. Poa-His-Cha-PSI[CH(OH)CH2]Val-Ile-Amp
U-81749E
-
i.e. Tba-Cha-PSI[CH(OH)CH2]Val-Ile-Amp
UIC-94017
-
TMC-114, a broad-spectrum, potent non-peptide inhibitor of HIV-1 protease, the inhibitor shows low cytotoxicity, enzyme binding structure analysis
ursolic acid
-
dimerization inhibitor
V-S-F-N-F-r-P-Q-I-T-K-K
-
substrate analogue, competitive inhibition of the HIV-1 protease, mimicks the p6pol-PR cleavage site
[1-(1-Benzyl-3-benzylcarbamoyl-3,3-difluoro-2-oxo-propylcarbamoyl)-2-methyl-propyl]-carbamic acid benzyl ester
-
-
[1-(1-{1-benzyl-3-[2-(1-tert-butylcarbamoyl-2-methyl-butylcarbamoyl)-pyrrolidin-1-yl]-2-methoxy-propylcarbamoyl}-2-carbamoyl-ethylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester
-
IC50: 750 nM
[1-Benzyl-2-hydroxy-4-(3-hydroxy-indan-1-ylcarbamoyl)-7-phenyl-hept-6-enyl]-carbamic acid tert-butyl ester
-
IC50: 0.55 nM
[1-Benzyl-3-(3-benzyl-1-isothiochroman-4-yl-2-oxo-pyrrolidin-3-yl)-2-hydroxy-propyl]-carbamic acid tert-butyl ester
-
IC50: 111 nM
[1-Benzyl-3-[3-benzyl-1-(2-hydroxy-5-methyl-cyclopentyl)-2-oxo-pyrrolidin-3-yl]-2-hydroxy-propyl]-carbamic acid tert-butyl ester
-
IC50: 17 nM
[1-Benzyl-4-(2,2-dioxo-2lambda6-isothiochroman-4-ylcarbamoyl)-2-hydroxy-7-phenyl-hept-6-enyl]-carbamic acid tert-butyl ester
-
IC50: 2.3 nM
{1-benzyl-3-[3-benzyl-1-(2,2-dioxo-2l6-isothiochroman-4-yl)-2-oxo-pyrrolidin-3-yl]-2-hydroxy-propyl}-carbamic acid tert-butyl ester
-
IC50: 14 nM
{1-benzyl-3-[3-benzyl-1-(2-hydroxy-indan-1-yl)-2-oxo-pyrrolidin-3-yl]-2-hydroxy-propyl}-carbamic acid tert-butyl ester
-
37 nM
{1-[1-benzyl-3-(2-tert-butylcarbamoyl-piperidin-1-yl)-2-methoxy-propylcarbamoyl]-2-carbamoyl-ethyl}-carbamic acid benzyl ester
-
IC50: 18 nM
{1-[1-benzyl-3-(2-tert-butylcarbamoyl-pyrrolidin-1-yl)-2-methoxy-propylcarbamoyl]-2-carbamoyl-ethyl}-carbamic acid benzyl ester
-
IC50: 210 nM
methyl [3-[(5S)-5-[[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamoyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate
-
-
additional information
-
design of tight-binding human immunodeficiency virus type 1 protease inhibitors
-
additional information
-
oxim derivatives containing halogenomethylketone and phenyl moieties are specific HIV-1 protease inhibitors
-
additional information
-
RVL-(reduced peptide bond)-FEA-Nle-NH2 and Ac-TI-Nle-(reduced peptide bond)-Nle-QR-NH2
-
additional information
-
design of hydrolytically-stable cyclic peptidomimetic inhibitors of HIV-1 protease
-
additional information
-
substrate-based cyclic peptidomimetics of Phe-Ile-Val that inhibit HIV-1 protease using a novel enzyme-binding mode
-
additional information
-
active site inhibitor binding structure analysis, overview
-
additional information
-
synthesis of diverse prodrugs of the water-soluble dipeptide-type HIV-1 protease inhibitors KNI-727, KNI-272, and KNI-279 by O to N acyl migration, and analysis of the water-solubility and stability of the prodrugs, overview
-
additional information
-
molecular basis for substrate recognition and drug resistance, structure analysis of substrate analogue inhibitors bound to wild-type enzyme, mutant V82A enzyme, and mutant I84V enzyme, overview
-
additional information
-
design of enzyme inhibitors active on multidrug-resistant virus, overview
-
additional information
-
inhibition analysis with eight clinically used protease inhibitors reveales that the natural polymorphisms found in subtype C protease, in combination with drug resistance mutations, can influence enzymatic catalytic efficiency and inhibitor resistance
-
additional information
-
the conformational flexibility of HIV-1 protease inhibitors directly contributes to the enzyme inhibition
-
additional information
-
two possible mechanisms of the irreversible inhibition of HIV-1 protease by epoxide inhibitors are investigated on an enzymatic model using ab initio (MP2) and density functional theory methods (B3LYP, MPW1K and M05-2X). The calculations predict the inhibition as a general acid-catalyzed nucleophilic substitution reaction proceeding by a concerted SN2 mechanism with a reaction barrier of ca. 1521 kcal/mol. The irreversible nature of the inhibition is characterized by a large negative reaction energy of ca. -17-(-24) kcal/mol. A mechanism with a direct proton transfer from an aspartic acid residue of the active site onto the epoxide ring has been shown to be preferred compared to one with the proton transfer from the acid catalyst facilitated by a bridging catalytic water molecule
-
additional information
-
the failure of an HIV protease inhibitor to fit within the substrate envelope appears to correlate with its susceptibility to mutational resistance
-
additional information
-
computational techniques to improve binding affinity are successfully applied to design peptide sequences that bind tighter to inactivated (D25N) HIV-1 protease
-
additional information
-
identification of the native pose of HIV-1 protease inhibitors by quantum mechanical/molecular mechanical models and comparison with the AMBER force field and ChemScore and GoldScore scoring functions. For the discrimination of native from non-native poses, solvent-corrected HF/6-31G:AMBER and AMBER functions exhibit the best overall performance. The electrostatic component of the MM and QM/MM functions appears important for discriminating the native pose of the ligand. There is no advantage to binding mode prediction by incorporating active site polarization at the PM3-D level. Choice of the protonation state of the aspartyl dyad in the HIV-1 protease active site influences the ability of scoring methods to determine the native binding pose
-
ACTIVATING COMPOUND
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
transglutaminase
-
incubation of HIV-1 aspartyl protease with transglutaminase increases its catalytic activity in a time- and concentration-dependent manner. Enzyme activity is increased, up to about 170% of control value, after 1 h incubation with 0.008 units of transglutaminase in the presence of Ca2+. The activation is completely abolished by spermidine
-
cyclophilin
-
human cyclophilin enhances activity, it is proposed that cyclophilin functions as an auxiliary enzyme for the protease during cleavage in the virion
-
additional information
-
casein kinase II is responsible for stimulation of HIV-1 protease in vitro
-
KM VALUE [mM]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.00069
2-aminobenzoyl-TI-Nle-Phe(NO2)-ER
-
pH 5.2, 2.0 M NaCl
0.00084
2-aminobenzoyl-TI-Nle-Phe(NO2)-ER
-
pH 4.5, 0.1 M NaCl
0.00598
2-aminobenzoyl-TI-Nle-Phe(NO2)-QR
-
pH 5.0, 2.0 M NaCl
0.00873
2-aminobenzoyl-TI-Nle-Phe(NO2)-QR
-
pH 4.9, 1.0 M NaCl
0.0152
2-aminobenzoyl-TI-Nle-Phe(NO2)-QR
-
pH 4.u, 0.1 M NaCl
0.0021
2-aminobenzoyl-TI-Nle-Phe(NO2)-QR-NH2
-
pH 6.0, 25C
0.0097
Abz-Ala-Arg-Val-Nle-(p-nitro)Phe-Phe-Glu-Ala-Nle-NH2
-
wild-type, pH 5.5
0.0513
Abz-Ala-Arg-Val-Nle-(p-nitro)Phe-Phe-Glu-Ala-Nle-NH2
-
mutant I84V, pH 5.5
0.117
Abz-Ala-Arg-Val-Nle-(p-nitro)Phe-Phe-Glu-Ala-Nle-NH2
-
mutant I50V, pH 5.5
0.0052
Abz-Arg-Val-Nle-(p-nitro)Phe-Phe-Glu-Ala-Nle-NH2
-
wild-type, pH 5.5
0.0277
Abz-Arg-Val-Nle-(p-nitro)Phe-Phe-Glu-Ala-Nle-NH2
-
I84V, pH 5.5
0.0549
Abz-Arg-Val-Nle-(p-nitro)Phe-Phe-Glu-Ala-Nle-NH2
-
I50V, pH 5.5
0.0227
Abz-Lys-Ala-Arg-Val-Nle-(p-nitro)Phe-Phe-Glu-Ala-Nle-NH2
-
wild-type, pH 5.5
0.072
Abz-Lys-Ala-Arg-Val-Nle-(p-nitro)Phe-Phe-Glu-Ala-Nle-NH2
-
mutant I84V, pH 5.5
0.158
Abz-Lys-Ala-Arg-Val-Nle-(p-nitro)Phe-Phe-Glu-Ala-Nle-NH2
-
mutant I50V, pH 5.5
0.0146
Abz-Thr-Ile-Nle-(p-nitro)Phe-Gln-Arg-NH2
-
wild-type, pH 5.5
0.0706
Abz-Thr-Ile-Nle-(p-nitro)Phe-Gln-Arg-NH2
-
mutant I84V, pH 5.5
0.139
Abz-Thr-Ile-Nle-(p-nitro)Phe-Gln-Arg-NH2
-
mutant I50V, pH 5.5
0.012
Ac-HGWILAEHGD-NH2
-
pH 6.0, 37C
3.9
Ac-RASQNYPVV-NH2
-
pH 6.0, 37C
2.1
Ac-RKILFLDG-NH2
-
pH 6.0, 37C
0.66
Ac-SQNYFLDG-NH2
-
pH 6.0, 37C
5.5
Ac-SQNYPVV-NH2
-
pH 6.0, 37C
1.5
Ac-SQSYPVV-NH2
-
pH 6.0, 37C
1.4
Ac-TIMMQR-NH2
-
-
0.032
AETFYVDGAA
-
pH 5.6, 37C, autolysis resistant enzyme form PR with the mutations Q7K/L33I/L63I/C67A/C95A
0.041
AETFYVDGAA
-
pH 5.6, 37C, autolysis reistant and truncated enzyme form PR-(5-99) with mutation Q7K/L33I/L63I/C67A/C95A
0.03
aminobenzoyl-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2
-
-
0.025
Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg
-
-
0.044
CTLNFPISP
-
pH 5.6, 37C, autolysis resistant enzyme form PR with the mutations Q7K/L33I/L63I/C67A/C95A
0.087
CTLNFPISP
-
pH 5.6, 37C, autolysis reistant and truncated enzyme form PR-(5-99) with mutation Q7K/L33I/L63I/C67A/C95A
0.71
DTV(I)33EEMS
-
pH 5.5, 30C, mutant enzyme Q7K/L33I/L63I
-
0.81
DTV(I)33EEMS
-
pH 5.5, 30C, wild-type enzyme
-
1.02
DTV(L)33EEMS
-
pH 5.5, 30C, wild-type enzyme
-
1.11
DTV(L)33EEMS
-
pH 5.5, 30C, mutant enzyme Q7K/L33I/L63I
-
0.87
DTV(V)33EEMS
-
pH 5.5, 30C, mutant enzyme Q7K/L33I/L63I
-
0.95
DTV(V)33EEMS
-
pH 5.5, 30C, wild-type enzyme
-
0.1
GAETFYVDGAA
-
pH 5.0, 37C, wild-type enzyme
0.0098
His-Lys-Ala-Arg-Val-Leu-(4-nitro)Phe-Glu-Ala-Nle-Ser-amide
-
-
0.07
IPFAAAQQRK
Q7SSE3
mutant enzyme V32I/I47V/V82I, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
0.28
IPFAAAQQRK
Q7SSE3
wild type enzyme, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
0.016
IRKILFLDG
-
pH 5.6, 37C, autolysis resistant enzyme form PR with the mutations Q7K/L33I/L63I/C67A/C95A
0.046
IRKILFLDG
-
pH 5.6, 37C, autolysis reistant and truncated enzyme form PR-(5-99) with mutation Q7K/L33I/L63I/C67A/C95A
0.09
KARLMAEALK
Q7SSE3
mutant enzyme V32I/I47V/V82I, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
0.13
KARLMAEALK
Q7SSE3
wild type enzyme, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
0.06
KARV-Nle-Phe(NO2)-EA-Nle
-
pH 5.0, wild-type enzyme
0.075
KARV-Nle-Phe(NO2)-EA-Nle
-
pH 5.0, mutant enzyme Q7K/L33I/L63I/C67A/C95A
0.133
KARV-Nle-Phe(NO2)-EA-Nle-NH2
-
pH 5.0, 25C, wild-type enzyme
0.177
KARV-Nle-Phe(NO2)-EA-Nle-NH2
-
pH 5.0, 25C, mutant enzyme Q7K/L33I/L63I/C67A/C95A
0.225
KARV-Nle-Phe(NO2)-EA-Nle-NH2
-
pH 5.0, 25C, mutant enzyme Q7K/R8Q/L33I/L63I/C67A/C95A
0.231
KARV-Nle-Phe(NO2)-EA-Nle-NH2
-
pH 5.0, 25C, mutant enzyme C95A
0.244
KARV-Nle-Phe(NO2)-EA-Nle-NH2
-
pH 5.0, 25C, mutant enzyme C67A/C95A
0.263
KARV-Nle-Phe(NO2)-EA-Nle-NH2
-
pH 5.0, 25C, mutant enzyme C67A
0.278
KARV-Nle-Phe(NO2)-EA-Nle-NH2
-
pH 5.0, 25C, wild-type enzyme
0.66
KARV-Nle-Phe(NO2)-EA-Nle-NH2
-
pH 5.0, 25C, truncated version PR-(5-99) from mutant enzyme Q7K/L33I/L63I/C67A/C95A
0.021
KARVLAEAMS
-
pH 5.6, 37C, autolysis resistant enzyme form PR with the mutations Q7K/L33I/L63I/C67A/C95A
0.192
KARVLAEAMS
-
pH 5.6, 37C, autolysis reistant and truncated enzyme form PR-(5-99) with mutation Q7K/L33I/L63I/C67A/C95A
6.4
KLRPGNFLQSRP
-
pH 5.0, 37C, wild-type enzyme
0.044
Lys-Ala-Arg-Val-Nle-4-nitro-Phe-Glu-Ala-Nle-amide
-
pH 5.0, mutant V82A
0.046
Lys-Ala-Arg-Val-Nle-4-nitro-Phe-Glu-Ala-Nle-amide
-
pH 5.0, 25C, mutant G73S
0.055
Lys-Ala-Arg-Val-Nle-4-nitro-Phe-Glu-Ala-Nle-amide
-
pH 5.0, mutant Q7K/L33I/L63I/C67A/C95A
0.211
Lys-Ala-Arg-Val-Nle-4-nitro-Phe-Glu-Ala-Nle-amide
-
pH 5.0, mutant I84V
0.31
Lys-Ala-Arg-Val-Nle-4-nitro-Phe-Glu-Ala-Nle-amide
-
pH 5.0, 25C, mutant L24I
0.5
Lys-Ala-Arg-Val-Nle-4-nitro-Phe-Glu-Ala-Nle-amide
-
pH 5.0, 25C, mutant I50V
0.01
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-Gly
-
37C, pH 4.7, HIV-1 subtype B protease mutant L90M
0.016
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-Gly
-
37C, pH 4.7, HIV-1 subtype B protease mutant N88D
0.017
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-Gly
-
37C, pH 4.7, HIV-1 subtype C protease
0.019
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-Gly
-
37C, pH 4.7, HIV-1 subtype B protease D30N/N88D
0.0195
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-Gly
-
37C, pH 4.7, HIV-1 subtype B protease
0.022
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-Gly
-
37C, pH 4.7, HIV-1 subtype B protease mutant N88D
0.023
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-Gly
-
37C, pH 4.7, HIV-1 subtype B protease D30N/L90M; 37C, pH 4.7, HIV-1 subtype B protease mutant L90M
0.024
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-Gly
-
37C, pH 4.7, HIV-1 subtype B protease N88D/L90M
0.03
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-Gly
-
37C, pH 4.7, HIV-1 subtype B protease N88D/L90M
0.035
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-Gly
-
37C, pH 4.7, HIV-1 subtype B protease mutant 0.061 D30N/N88D
0.0386
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-Gly
-
37C, pH 4.7, HIV-1 subtype B protease mutant D30N
0.061
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-Gly
-
37C, pH 4.7, HIV-1 subtype B protease mutant 0.03 D30M/L90M
0.064
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-Gly
-
37C, pH 4.7, HIV-1 subtype C protease mutant D30N
0.006
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-NH2
-
37C, pH 4.7, mutant enzyme N88D
0.011
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-NH2
-
37C, pH 4.7, mutant enzyme L90M
0.014
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-NH2
-
37C, pH 4.7, mutant enzyme A71V
0.015
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-NH2
-
37C, pH 4.7, wild-type enzyme
0.018
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-NH2
-
37C, pH 4.7, mutant enzyme D30N; 37C, pH 4.7, mutant enzyme D30N/N88D
0.024
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-NH2
-
37C, pH 4.7, mutant enzyme D30N/A71V
0.027
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-NH2
-
37C, pH 4.7, mutant enzyme D30N/L63PA71V/L90M
0.007
PAFVLAEAMR
-
mutant enzyme R8K
0.009
PAFVLAEAMR
-
mutant enzyme I84V; wild-type enzyme
0.01
PAFVLAEAMR
-
mutant enzyme V32I
0.013
PAFVLAEAMR
-
mutant enzyme V82T/I84V
0.027
PARVLAEAMR
-
mutant enzyme G48V/L90M
-
0.033
PARVLAEAMR
-
wild-type enzyme
-
0.046
PARVLAEAMR
-
mutant enzyme V82T
-
0.051
PARVLAEAMR
-
mutant enzyme I84V
-
0.056
PARVLAEAMR
-
mutant enzyme R8K
-
0.072
PARVLAEAMR
-
mutant enzyme V82T/I84V
-
0.105
PARVLAEAMR
-
mutant enzyme V32I
-
0.013
PARVLFEAMR
-
mutant enzyme V32I
-
0.02
PARVLFEAMR
-
wild-type enzyme
-
0.025
PARVLFEAMR
-
mutant enzyme G48V/L90M
-
0.027
PARVLFEAMR
-
mutant enzyme R8K
-
0.033
PARVLFEAMR
-
mutant enzyme I84V
-
0.046
PARVLFEAMR
-
mutant enzyme V82T/I84V
-
0.057
PARVLFEAMR
-
mutant enzyme V82T
-
0.023
PARVLIEAMR
-
wild-type enzyme
-
0.027
PARVLIEAMR
-
mutant enzyme V82T
-
0.054
PARVLIEAMR
-
mutant enzyme I84V
-
0.071
PARVLIEAMR
-
mutant enzyme V82T/I84V
-
0.09
PARVLIEAMR
-
mutant enzyme G48V/L90M
-
0.108
PARVLIEAMR
-
mutant enzyme R8K
-
0.129
PARVLIEAMR
-
mutant enzyme V32I
-
0.061
PARVLLAEAMR
-
mutant enzyme V82T/I84V
-
0.03
PARVLLEAMR
-
mutant enzyme G48V/L90M
0.031
PARVLLEAMR
-
mutant enzyme V82T/I84V
0.033
PARVLLEAMR
-
mutant enzyme R8K
0.034
PARVLLEAMR
-
wild-type enzyme
0.061
PARVLLEAMR
-
mutant enzyme V32I
0.07
PARVLLEAMR
-
mutant enzyme I84V
0.024
PARVLMEAMR
-
mutant enzyme G48V/L90M; mutant enzyme R8K
0.032
PARVLMEAMR
-
wild-type enzyme
0.033
PARVLMEAMR
-
mutant enzyme I84V
0.036
PARVLMEAMR
-
mutant enzyme V32I
0.01
PARVLVEAMR
-
mutant enzyme G48V/L90M
-
0.014
PARVLVEAMR
-
mutant enzyme V32I
-
0.015
PARVLVEAMR
-
mutant enzyme I84V
-
0.016
PARVLVEAMR
-
mutant enzyme V82T
-
0.024
PARVLVEAMR
-
mutant enzyme V82T/I84V
-
0.044
PARVLVEAMR
-
mutant enzyme R8K
-
0.1
PARVLVEAMR
-
wild-type enzyme
-
2.2
PQITLLLLLWQRP
-
pH 5.5, 30C, wild-type enzyme
0.143
REYDQI(I)63IEVS
-
pH 5.5, 30C, mutant enzyme Q7K/L33I/L63I
-
0.152
REYDQI(I)63IEVS
-
pH 5.5, 30C, wild-type enzyme
-
0.202
REYDQI(L)63IEVS
-
pH 5.5, 30C, mutant enzyme Q7K/L33I/L63I
-
0.215
REYDQI(L)63IEVS
-
pH 5.5, 30C, wild-type enzyme
-
0.125
REYDQI(L)63IKVS
-
pH 5.5, 30C, mutant enzyme Q7K/L33I/L63I
-
0.135
REYDQI(L)63IKVS
-
pH 5.5, 30C, wild-type enzyme
-
0.34
RQGTVSFNFPQITL
-
pH 5.0, 37C, mutant enzyme A28S
0.54
RQGTVSFNFPQITL
-
pH 5.0, 37C, wild-type enzyme
0.24
TATIMMQRGN
-
pH 5.0, 37C, mutant enzyme A28S
0.5
TATIMMQRGN
-
pH 5.0, 37C, wild-type enzyme
0.32
VLQNYPIVQ
Q7SSE3
mutant enzyme V32I/I47V/V82I, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
0.4
VLQNYPIVQ
Q7SSE3
wild type enzyme, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
0.12
VSQLYPIVQ
Q7SSE3
wild type enzyme, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
0.38
VSQLYPIVQ
Q7SSE3
mutant enzyme V32I/I47V/V82I, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
2
VSQNYPIV
-
pH 5.5, 30C, wild-type enzyme and mutant enzyme Q7K/L33I/L63I
1.15
VSQNYPIVQ
-
pH 5.0, 37C, mutant enzyme L90M
1.5
VSQNYPIVQ
-
pH 5.0, 37C, wild-type enzyme
3.3
VSQNYPIVQ
-
pH 5.0, 37C, mutant enzyme G48H
3.8
VSQNYPIVQ
-
pH 5.0, 37C, mutant enzyme G48V/L90M
4.2
VSQNYPIVQ
-
pH 5.0, 37C, mutant enzyme V82A
9.8
VSQNYPIVQ
-
pH 5.0, 37C, mutant enzyme G48V
0.24
VSQVYPIVQ
Q7SSE3
wild type enzyme, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
0.35
VSQVYPIVQ
Q7SSE3
mutant enzyme V32I/I47V/V82I, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
0.19
VVQNYPIVQ
Q7SSE3
wild type enzyme, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
0.23
VVQNYPIVQ
Q7SSE3
mutant enzyme V32I/I47V/V82I, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
0.064
YVSQNFPIVQNR
-
pH 4.7
0.029
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-NH2
-
37C, pH 4.7, mutant enzyme D30N/L90M
additional information
additional information
-
kinetics, LAI wild-type enzyme
-
additional information
additional information
-
-
-
additional information
additional information
-
substrate specificity and kinetics of wild-type and mutant enzymes, overview
-
additional information
additional information
P04587
-
-
additional information
additional information
-
molecular dynamics technique simulation of pH effecting the enzyme dynamics, effects of Na+ and Cl- ions, overview
-
TURNOVER NUMBER [1/s]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
4.14
2-aminobenzoyl-TI-Nle-Phe(NO2)-ER
-
pH 5.2, 2.0 M NaCl
5.46
2-aminobenzoyl-TI-Nle-Phe(NO2)-ER
-
pH 4.5, 0.1 M NaCl
5.8
2-aminobenzoyl-TI-Nle-Phe(NO2)-QR
-
pH 4.8, 0.1 M NaCl
9.25
2-aminobenzoyl-TI-Nle-Phe(NO2)-QR
-
pH 4.9, 1.0 M NaCl
19.5
2-aminobenzoyl-TI-Nle-Phe(NO2)-QR
-
pH 5.0, 2.0 M NaCl
7.4
2-aminobenzoyl-TI-Nle-Phe(NO2)-QR-NH2
-
pH 6.0, 25C
0.0008
AETFYVDGAA
-
pH 5.6, 37C, autolysis reistant and truncated enzyme form PR-(5-99) with mutation Q7K/L33I/L63I/C67A/C95A
0.41
AETFYVDGAA
-
pH 5.6, 37C, autolysis resistant enzyme form PR with the mutations Q7K/L33I/L63I/C67A/C95A
0.05
CTLNFPISP
-
pH 5.6, 37C, autolysis reistant and truncated enzyme form PR-(5-99) with mutation Q7K/L33I/L63I/C67A/C95A
1.72
CTLNFPISP
-
pH 5.6, 37C, autolysis resistant enzyme form PR with the mutations Q7K/L33I/L63I/C67A/C95A
0.04
DTV(I)33EEMS
-
pH 5.5, 30C, mutant enzyme Q7K/L33I/L63I
-
0.0483
DTV(I)33EEMS
-
pH 5.5, 30C, wild-type enzyme
-
4.35
DTV(L)33EEMS
-
pH 5.5, 30C, wild-type enzyme
-
4.58
DTV(L)33EEMS
-
pH 5.5, 30C, mutant enzyme Q7K/L33I/L63I
-
0.125
DTV(V)33EEMS
-
pH 5.5, 30C, mutant enzyme Q7K/L33I/L63I
-
0.13
DTV(V)33EEMS
-
pH 5.5, 30C, wild-type enzyme
-
5.05
GAETFYVDGAA
-
pH 5.0, 37C, wild-type enzyme
0.3
IPFAAAQQRK
Q7SSE3
wild type enzyme, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
1.2
IPFAAAQQRK
Q7SSE3
mutant enzyme V32I/I47V/V82I, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
0.08
IRKILFLDG
-
pH 5.6, 37C, autolysis reistant and truncated enzyme form PR-(5-99) with mutation Q7K/L33I/L63I/C67A/C95A
1.2
IRKILFLDG
-
pH 5.6, 37C, autolysis resistant enzyme form PR with the mutations Q7K/L33I/L63I/C67A/C95A
0.3
KARLMAEALK
Q7SSE3
wild type enzyme, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
0.6
KARLMAEALK
Q7SSE3
mutant enzyme V32I/I47V/V82I, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
0.767
KARV-Nle-Phe(NO2)-EA-Nle
-
pH 5.0, mutant enzyme Q7K/L33I/L63I/C67A/C95A
1.23
KARV-Nle-Phe(NO2)-EA-Nle
-
pH 5.0, wild-type enzyme
0.44
KARV-Nle-Phe(NO2)-EA-Nle-NH2
-
pH 5.0, 25C, truncated version PR-(5-99) from mutant enzyme Q7K/L33I/L63I/C67A/C95A
1.9
KARV-Nle-Phe(NO2)-EA-Nle-NH2
-
pH 5.0, 25C, wild-type enzyme
3.5
KARV-Nle-Phe(NO2)-EA-Nle-NH2
-
pH 5.0, 25C, mutant enzyme C67A/C95A and mutant enzyme C95A
3.7
KARV-Nle-Phe(NO2)-EA-Nle-NH2
-
pH 5.0, 25C, mutant enzyme C67A
3.74
KARV-Nle-Phe(NO2)-EA-Nle-NH2
-
pH 5.0, 25C, wild-type enzyme
5.2
KARV-Nle-Phe(NO2)-EA-Nle-NH2
-
pH 5.0, 25C, mutant enzyme Q7K/R8Q/L33I/L63I/C67A/C95A
5.5
KARV-Nle-Phe(NO2)-EA-Nle-NH2
-
pH 5.0, 25C, mutant enzyme Q7K/L33I/L63I/C67A/C95A
0.11
KARVLAEAMS
-
pH 5.6, 37C, autolysis reistant and truncated enzyme form PR-(5-99) with mutation Q7K/L33I/L63I/C67A/C95A
0.89
KARVLAEAMS
-
pH 5.6, 37C, autolysis resistant enzyme form PR with the mutations Q7K/L33I/L63I/C67A/C95A
12.7
KLRPGNFLQSRP
-
pH 5.0, 37C, wild-type enzyme
61
Lys-Ala-Arg-Val-Nle-4-nitro-Phe-Glu-Ala-Nle-amide
-
pH 5.0, 25C, mutant L24I
194.5
Lys-Ala-Arg-Val-Nle-4-nitro-Phe-Glu-Ala-Nle-amide
-
pH 5.0, mutant V82A
280
Lys-Ala-Arg-Val-Nle-4-nitro-Phe-Glu-Ala-Nle-amide
-
pH 5.0, 25C, mutant G73S
285
Lys-Ala-Arg-Val-Nle-4-nitro-Phe-Glu-Ala-Nle-amide
-
pH 5.0, mutant Q7K/L33I/L63I/C67A/C95A
480
Lys-Ala-Arg-Val-Nle-4-nitro-Phe-Glu-Ala-Nle-amide
-
pH 5.0, 25C, mutant I50V
780
Lys-Ala-Arg-Val-Nle-4-nitro-Phe-Glu-Ala-Nle-amide
-
pH 5.0, mutant I84V
3.2
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-Gly
-
37C, pH 4.7, HIV-1 subtype B protease D30N/N88D
3.5
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-Gly
-
37C, pH 4.7, HIV-1 subtype B protease mutant D30M/L90M
4
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-Gly
-
37C, pH 4.7, HIV-1 subtype B protease D30N/L90M
4.3
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-Gly
-
37C, pH 4.7, HIV-1 subtype B protease mutant N88D
4.8
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-Gly
-
37C, pH 4.7, HIV-1 subtype B protease mutant L90M
5
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-Gly
-
37C, pH 4.7, HIV-1 subtype B protease mutant D30N
5.6
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-Gly
-
37C, pH 4.7, HIV-1 subtype C protease
5.8
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-Gly
-
37C, pH 4.7, HIV-1 subtype B protease mutant L90M
10
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-Gly
-
37C, pH 4.7, HIV-1 subtype B protease
10.2
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-Gly
-
37C, pH 4.7, HIV-1 subtype B protease N88D/L90M
12
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-Gly
-
37C, pH 4.7, HIV-1 subtype B protease mutant N88D; 37C, pH 4.7, HIV-1 subtype C protease mutant D30N
12.4
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-Gly
-
37C, pH 4.7, HIV-1 subtype B protease mutant D30N/N88D
13
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-Gly
-
37C, pH 4.7, HIV-1 subtype B protease N88D/L90M
8
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-NH2
-
37C, pH 4.7, mutant enzyme N88D
12
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-NH2
-
37C, pH 4.7, mutant enzyme A71V
14
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-NH2
-
37C, pH 4.7, mutant enzyme D30N/A71V
16
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-NH2
-
37C, pH 4.7, mutant enzyme D30N/L63PA71V/L90M; 37C, pH 4.7, mutant enzyme L90M
17
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-NH2
-
37C, pH 4.7, mutant enzyme D30N
22
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-NH2
-
37C, pH 4.7, mutant enzyme D30N/L90M
24
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-NH2
-
37C, pH 4.7, mutant enzyme D30N/N88D
30
Lys-Ala-Arg-Val-Nle-Phe(4-NO2)-Glu-Ala-Nle-NH2
-
37C, pH 4.7, wild-type enzyme
0.0833
PAFVLAEAMR
-
mutant enzyme V32I
0.167
PAFVLAEAMR
-
mutant enzyme R8K
0.183
PAFVLAEAMR
-
mutant enzyme G48V/L90M
0.25
PAFVLAEAMR
-
wild-type enzyme
0.317
PAFVLAEAMR
-
mutant enzyme V82T/I84V
0.583
PAFVLAEAMR
-
mutant enzyme V82T
0.933
PAFVLMEAMR
-
wild-type enzyme
-
0.0667
PARVLAEAMR
-
mutant enzyme V32I
-
0.133
PARVLAEAMR
-
mutant enzyme R8K
-
0.2
PARVLAEAMR
-
mutant enzyme G48V/L90M
-
0.267
PARVLAEAMR
-
wild-type enzyme
-
0.333
PARVLAEAMR
-
mutant enzyme V82T/I84V
-
0.533
PARVLAEAMR
-
mutant enzyme V82T
-
0.75
PARVLAEAMR
-
mutant enzyme I84V
-
0.9
PARVLAEAMR
-
mutant enzyme I84V
-
0.467
PARVLFEAMR
-
mutant enzyme V32I
-
1.03
PARVLFEAMR
-
wild-type enzyme
-
1.1
PARVLFEAMR
-
mutant enzyme R8K
-
1.15
PARVLFEAMR
-
mutant enzyme G48V/L90M
-
1.57
PARVLFEAMR
-
mutant enzyme V82T/I84V
-
1.73
PARVLFEAMR
-
mutant enzyme V82T
-
2.55
PARVLFEAMR
-
mutant enzyme I84V
-
0.367
PARVLIEAMR
-
wild-type enzyme
-
0.6
PARVLIEAMR
-
mutant enzyme V32I
-
1.03
PARVLIEAMR
-
mutant enzyme V82T
-
1.07
PARVLIEAMR
-
mutant enzyme G48V/L90M
-
1.17
PARVLIEAMR
-
mutant enzyme R8K
-
1.6
PARVLIEAMR
-
mutant enzyme V82T/I84V
-
1.82
PARVLIEAMR
-
mutant enzyme I84V
-
0.467
PARVLLEAMR
-
mutant enzyme G48V/L90M
0.583
PARVLLEAMR
-
wild-type enzyme
0.617
PARVLLEAMR
-
mutant enzyme R8K
0.633
PARVLLEAMR
-
mutant enzyme V32I
1.22
PARVLLEAMR
-
mutant enzyme V82T
1.6
PARVLLEAMR
-
mutant enzyme V82T/I84V
2.22
PARVLLEAMR
-
mutant enzyme I84V
0.6
PARVLMEAMR
-
mutant enzyme V32I
1.02
PARVLMEAMR
-
mutant enzyme G48V/L90M
1.07
PARVLMEAMR
-
mutant enzyme R8K
1.28
PARVLMEAMR
-
mutant enzyme V82T/I84V
1.3
PARVLMEAMR
-
mutant enzyme I84V
1.87
PARVLMEAMR
-
mutant enzyme V82T
0.5
PARVLVEAMR
-
mutant enzyme V32I
-
0.717
PARVLVEAMR
-
mutant enzyme G48V/L90M
-
0.833
PARVLVEAMR
-
wild-type enzyme
-
1.23
PARVLVEAMR
-
mutant enzyme R8K
-
1.32
PARVLVEAMR
-
mutant enzyme V82T/I84V
-
2
PARVLVEAMR
-
mutant enzyme V82T
-
2.02
PARVLVEAMR
-
mutant enzyme I84V
-
0.0967
PQITLLLLLWQRP
-
pH 5.5, 30C, wild-type enzyme
0.103
PQITLLLLLWQRP
-
pH 5.5, 30C, mutant enzyme Q7K/L33I/L63I
0.025
REYDQI(I)63IEVS
-
pH 5.5, 30C, wild-type enzyme
-
0.0267
REYDQI(I)63IEVS
-
pH 5.5, 30C, mutant enzyme Q7K/L33I/L63I
-
2.85
REYDQI(L)63IEVS
-
pH 5.5, 30C, wild-type enzyme
-
3.07
REYDQI(L)63IEVS
-
pH 5.5, 30C, mutant enzyme Q7K/L33I/L63I
-
0.000833
REYDQI(L)63IKVS
-
pH 5.5, 30C, wild-type enzyme
-
0.001
REYDQI(L)63IKVS
-
pH 5.5, 30C, mutant enzyme Q7K/L33I/L63I
-
0.026
RQGTVSFNFPQITL
-
pH 5.0, 37C, mutant enzyme A28S
62.7
RQGTVSFNFPQITL
-
pH 5.0, 37C, wild-type enzyme
0.018
TATIMMQRGN
-
pH 5.0, 37C, mutant enzyme A28S
58.8
TATIMMQRGN
-
pH 5.0, 37C, wild-type enzyme
0.06
VLQNYPIVQ
Q7SSE3
wild type enzyme, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
0.26
VLQNYPIVQ
Q7SSE3
mutant enzyme V32I/I47V/V82I, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
0.4
VSQLYPIVQ
Q7SSE3
wild type enzyme, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
5.1
VSQLYPIVQ
Q7SSE3
mutant enzyme V32I/I47V/V82I, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
4.02
VSQNYPIV
-
pH 5.5, 30C, wild-type enzyme
4.32
VSQNYPIV
-
pH 5.5, 30C, mutant enzyme Q7K/L33I/L63I
0.08
VSQNYPIVQ
-
pH 5.0, 37C, mutant enzyme I84V
0.172
VSQNYPIVQ
-
pH 5.0, 37C, mutant enzyme V82E
2.2
VSQNYPIVQ
-
pH 5.0, 37C, mutant enzyme G48V/L90M
3.14
VSQNYPIVQ
-
pH 5.0, 37C, mutant enzyme L90M
9.7
VSQNYPIVQ
-
pH 5.0, 37C, mutant enzyme I82V
19.2
VSQNYPIVQ
-
pH 5.0, 37C, mutant enzyme A28S
20.7
VSQNYPIVQ
-
pH 5.0, 37C, mutant enzyme V82A
30.9
VSQNYPIVQ
-
pH 5.0, 37C, mutant enzyme V82E
31.3
VSQNYPIVQ
-
pH 5.0, 37C, mutant enzyme G48V
51.8
VSQNYPIVQ
-
pH 5.0, 37C, wild-type enzyme
93.5
VSQNYPIVQ
-
pH 5.0, 37C, mutant enzyme G48H
2.6
VSQVYPIVQ
Q7SSE3
wild type enzyme, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
3
VSQVYPIVQ
Q7SSE3
mutant enzyme V32I/I47V/V82I, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
0.16
VVQNYPIVQ
Q7SSE3
wild type enzyme, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
0.18
VVQNYPIVQ
Q7SSE3
mutant enzyme V32I/I47V/V82I, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
kcat/KM VALUE [1/mMs-1]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
1.1
IPFAAAQQRK
Q7SSE3
wild type enzyme, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
11712
16.3
IPFAAAQQRK
Q7SSE3
mutant enzyme V32I/I47V/V82I, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
11712
2.3
KARLMAEALK
Q7SSE3
wild type enzyme, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
12196
6.6
KARLMAEALK
Q7SSE3
mutant enzyme V32I/I47V/V82I, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
12196
0.2
VLQNYPIVQ
Q7SSE3
wild type enzyme, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
5743
0.8
VLQNYPIVQ
Q7SSE3
mutant enzyme V32I/I47V/V82I, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
5743
3.3
VSQLYPIVQ
Q7SSE3
wild type enzyme, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
4965
8.6
VSQLYPIVQ
Q7SSE3
mutant enzyme V32I/I47V/V82I, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
4965
8.6
VSQVYPIVQ
Q7SSE3
mutant enzyme V32I/I47V/V82I, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
5753
10.8
VSQVYPIVQ
Q7SSE3
wild type enzyme, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
5753
0.8
VVQNYPIVQ
Q7SSE3
mutant enzyme V32I/I47V/V82I, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C; wild type enzyme, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
6804
Ki VALUE [mM]
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.00011
((S)-1-(N'-(3',5'-difluoro-biphenyl-4-ylmethyl)-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxyindan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl)-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
wild-type protein
0.0000018
((S)-1-(N'-(4'-acetylamino-biphenyl-4-ylmethyl)-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl)-2,2-dimethylpropyl)-carbamic acid methyl ester
-
wild-type protein
0.000008
((S)-1-(N'-(4-benzo[1,3]dioxol-5-yl-benzyl)-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxyindan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl)-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
wild-type protein
0.0000023
((S)-1-(N'-benzyl-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl)-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
wild-type protein
0.0000082
((S)-1-(N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-N'-phenethyl-hydrazinocarbonyl)-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
wild-type protein
0.0000017
((S)-1-(N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-N'-[4-(1-methyl-1H-pyrazol-4-yl)-benzyl]-hydrazinocarbonyl)-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
wild-type protein
0.0000028
((S)-1-(N'-[4-(3,5-dimethyl-isoxazol-4-yl)-benzyl]-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl)-2,2-dimethylpropyl)-carbamic acid methyl ester
-
wild-type protein
0.0000029
((S)-1-[N'-(4-bromo-benzyl)-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
wild-type protein
0.00003
((S)-1-[N'-(4-bromo-benzyl)-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
L63P/V82T/I84V mutant protein
0.000012
((S)-1-[N'-biphenyl-4-ylmethyl-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
wild-type protein
0.0000017
((S)-1-[N'-[(S)-3-Hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-N'-(4-pyridin-2-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
wild-type protein
0.000016
((S)-1-[N'-[(S)-3-Hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-N'-(4-pyridin-2-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
L63P/V82T/I84V mutant protein
0.0000012
((S)-1-[N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-N'-(4-pyridin-3-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
wild-type protein
0.000016
((S)-1-[N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-N'-(4-pyridin-3-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
L63P/V82T/I84V mutant protein
0.0000023
((S)-1-[N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-N'-(4-pyridin-4-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
wild-type protein
0.0006
(1-Benzyl-3-benzylcarbamoyl-3,3-difluoro-2-oxo-propyl)-carbamic acid benzyl ester
-
-
0.000053
(2E)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]propyl]-4,4,4-trifluoro-3-methylbut-2-enamide
-
-
0.00061
(2E)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]propyl]-4-oxopent-2-enamide
-
-
0.013
(2E)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(5-methylisoxazol-4-yl)sulfonyl](thiophen-2-ylmethyl)amino]propyl]-4,4,4-trifluoro-3-methylbut-2-enamide
-
-
0.00000038
(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide
-
-
0.0000212
(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(2R,5S)-2-hydroxy-5-methylcyclopentyl]amino]-5-oxopentyl]-N-tert-butyl-4-(3-pyridin-3-ylpropanoyl)piperazine-2-carboxamide
-
-
0.0000019
(2S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]propyl]-2-hydroxy-3-methylbutanamide
-
-
0.0000025
(2S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](pentyl)amino]propyl]-2-hydroxy-3-methylbutanamide
-
-
0.00000062
(2S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]propyl]-2-hydroxy-3-methylbutanamide
-
-
0.00000029
(2S)-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl]-2-hydroxy-3-methylbutanamide
-
-
0.00000082
(2S)-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl]-2,3-dimethylbutanamide
-
-
0.000000063
(2S)-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-1-benzyl-2-hydroxypropyl]-2-hydroxy-3-methylbutanamide
-
-
0.000000004
(2S)-N-[(1S,2R,3S,4S)-1-benzyl-2,3-dihydroxy-4-[[(2S)-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanoyl]amino]-5-phenylpentyl]-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide
-
-
0.000000112
(2S)-N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanoyl]amino]-5-phenylpentyl]-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide
-
-
0.000000063
(2S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-hydroxy-3-methylbutanamide
-
wild-type protein
0.00000088
(2S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-hydroxy-3-methylbutanamide
-
D30N/L63P/N88D mutant protein
0.0000011
(2S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-hydroxy-3-methylbutanamide
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.0000013
(2S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-hydroxy-3-methylbutanamide
-
I50V/A71V mutant protein
0.000005
(2S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-hydroxy-3-methylbutanamide
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.000000011
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide)
-
-
0.000000012
(2S,2'S)-N,N'-[(2S,3S,4S,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide)
-
-
0.000006
(2S,3S,4S,5S)-2,5-bis[N-[N-[[N-methyl-N-(2-pyridinylmethyl)amino]carbonyl]valinyl] amino]-1,6-dicyclohexylhexane-3,4-diol
-
native enzyme
0.000012
(2S,3S,4S,5S)-2,5-bis[N-[N-[[N-methyl-N-(2-pyridinylmethyl)amino]carbonyl]valinyl] amino]-1,6-dicyclohexylhexane-3,4-diol
-
mutant enzyme V82A
0.0000013
(2S,3S,4S,5S)-2,5-bis[N-[N-[[N-methyl-N-(2-pyridinylmethyl)amino]carbonyl]valinyl] amino]-1,6-diphenylhexane-3,4-diol
-
native enzyme
0.000009
(2S,3S,4S,5S)-2,5-bis[N-[N-[[N-methyl-N-(2-pyridinylmethyl)amino]carbonyl]valinyl] amino]-1,6-diphenylhexane-3,4-diol
-
mutant enzyme V82A
0.0000023
(2S,3S,4S,5S)-2,5-bis[N-[N-[[N-methyl-N-(2-pyridinylmethyl)amino]carbonyl]valinyl] amino]-6-cyclohexyl-1-phenylhexane-3,4-diol
-
native enzyme
0.000014
(2S,3S,4S,5S)-2,5-bis[N-[N-[[N-methyl-N-(2-pyridinylmethyl)amino]carbonyl]valinyl] amino]-6-cyclohexyl-1-phenylhexane-3,4-diol
-
mutant enzyme V82A
0.0000045
(2S,4S)-2-[(1R)-2-(benzylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl]-N-[(1S)-1-hydroxy-2-phenylethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
0.00000011
(2S,4S)-N-[(1R,2R)-4-[(1H-benzimidazol-2-ylmethyl)amino]-1-benzyl-2-hydroxy-4-oxobutyl]-2-[(1R)-1-(benzylcarbamoyl)-3-oxo-4-phenylbutyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
0.000053
(2Z)-4,4,4-trifluoro-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]butan-2-yl]-3-methylbut-2-enamide
-
wild-type protein
0.00013
(2Z)-4,4,4-trifluoro-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]butan-2-yl]-3-methylbut-2-enamide
-
D30N/L63P/N88D mutant protein
0.00014
(2Z)-4,4,4-trifluoro-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]butan-2-yl]-3-methylbut-2-enamide
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.00067
(2Z)-4,4,4-trifluoro-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]butan-2-yl]-3-methylbut-2-enamide
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.000000068
(3aR,4R,7aS)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
-
pH and temperature not specified in the publication
0.00000065
(3aR,5r,6aS)-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl [(2S,3S)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
-
-
0.000000005
(3aR,7aR)-octahydro-1-benzofuran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
-
pH and temperature not specified in the publication
0.000009
(3aR,7aR)-octahydro-1H-inden-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
-
pH and temperature not specified in the publication
0.0000000027
(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
-
pH and temperature not specified in the publication
0.00000001
(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
-
pH and temperature not specified in the publication
0.000000085
(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
-
pH and temperature not specified in the publication
0.00000029
(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(2S,3S)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
-
-
0.000000099
(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl-(2S,3R)-3-hydroxy-4-(4-methoxy-N-(((R)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-1-phenylbutan-2-ylcarbamate
-
GRL-02031
0.00000031
(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl-(2S,3R)-3-hydroxy-4-(4-methoxy-N-(((S)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-1-phenylbutan-2-ylcarbamate
-
-
0.00000031
(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl-(2S,3R)-4-(4-amino-N-(((R)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate
-
-
0.00000011
(3aS,5R,7aR)-hexahydro-4H-furo[2,3-b]pyran-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
-
pH and temperature not specified in the publication
0.00000037
(3R)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]propyl]-3-hydroxypentanamide
-
-
0.00000086
(3R)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](pentyl)amino]propyl]-3-hydroxypentanamide
-
-
0.00000034
(3R)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]propyl]-3-hydroxypentanamide
-
-
0.012
(3R)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(5-methylisoxazol-4-yl)sulfonyl](thiophen-2-ylmethyl)amino]propyl]-3-methylpent-4-enamide
-
-
0.00000013
(3R)-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl]-3-hydroxypentanamide
-
-
0.0000007
(3R)-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl]-3-hydroxypentanamide
-
-
0.000000067
(3R)-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-1-benzyl-2-hydroxypropyl]-3-hydroxypentanamide
-
-
0.0000025
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
-
-
0.00000031
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S)-3-hydroxy-4-[(4R)-4-[[4-(hydroxymethyl)-2-methylbenzyl]carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-4-oxo-1-phenylbutan-2-yl]carbamate
-
-
0.00000101
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S)-4-[(4R)-4-[(4-amino-2-methylbenzyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
-
-
0.0000000052
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
-
GRL-0355
0.00000203
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
-
-
0.00000085
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl(2S,3R)-3-hydroxy-4-(4-methoxy-N-(((S)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-1-phenylbutan-2-yl-carbamate
-
-
0.00000028
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl(2S,3R)-4-(4-amino-N-(((S)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate
-
-
0.00000028
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl-(2S,3R)-3-hydroxy-4-(4-methoxy-N-(((R)-2-oxooxazolidin-4-yl)methyl)phenylsulfonamido)-1-phenylbutan-2-ylcarbamate
-
-
0.00000012
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl-(2S,3R)-3-hydroxy-4-(4-methoxy-N-(((R)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-1-phenylbutan-2-ylcarbamate
-
-
0.000000035
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl-(2S,3R)-3-hydroxy-4-(4-methoxy-N-(((S)-2-oxooxazolidin-4-yl)methyl)phenylsulfonamido)-1-phenylbutan-2-ylcarbamate
-
-
0.00000031
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl-(2S,3R)-4-(4-amino-N-(((R)-2-oxooxazolidin-4-yl)methyl)phenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate
-
-
0.00000085
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl-(2S,3R)-4-(4-amino-N-(((R)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate
-
-
0.00000024
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl-(2S,3R)-4-(4-amino-N-(((S)-2-oxooxazolidin-4-yl)methyl)phenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate
-
-
0.000002
(3R,4aR,8aR)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)carbonyl]amino]-4-(phenylsulfanyl)butyl]decahydroisoquinoline-3-carboxamide
-
-
0.0000191
(3R,4S,5S,6S)-2,7-dibenzyl-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-4,5-diol 1,1-dioxide
-
-
0.0000862
(3S)-tetrahydrofuran-3-yl [(2S,3R)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
-
-
0.00000021
(3S)-tetrahydrofuran-3-yl [(2S,3S)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
-
-
0.00000143
(4aR,7aS)-octahydrocyclopenta[b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
-
pH and temperature not specified in the publication
0.0000053
(4aS,7aR)-hexahydro-2H-furo[3,4-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
-
pH and temperature not specified in the publication
0.000000041
(4R)-3-[(2S,3S)-2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)carbonyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide
-
-
0.0000000055
(4R)-N-tert-butyl-3-[(2S,3S)-3-([(2,6-dimethylphenoxy)acetyl]amino)-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
0.0000122
(4R,5S,6S,7S)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(phenoxymethyl)-1,3-diazepan-2-one
-
-
0.00000078
(5R)-1,3-dioxepan-5-yl [(2S,3S)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
-
-
0.000000063
(5S)-3-(2,4-difluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00001054
(5S)-3-(2,4-difluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000212
(5S)-3-(2,4-difluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000033
(5S)-3-(3,4-difluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.0000000008
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild-type protein
0.000000039
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
D30N/L63P/N88D mutant protein
0.00000016
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.0000014
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
I50V/A71V mutant protein
0.0000034
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.000000236
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000006
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild-type protein
0.00000024
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
D30N/L63P/N88D mutant protein
0.00000072
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.0000023
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
I50V/A71V mutant protein
0.0000035
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.000000015
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000169
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000002
(5S)-3-(3-aminophenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000268
(5S)-3-(3-aminophenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000113
(5S)-3-(3-aminophenyl)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000655
(5S)-3-(3-aminophenyl)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000319
(5S)-3-(3-fluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000004
(5S)-3-(4-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild-type protein
0.00000018
(5S)-3-(4-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
D30N/L63P/N88D mutant protein
0.00000078
(5S)-3-(4-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.000001
(5S)-3-(4-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
I50V/A71V mutant protein
0.0000019
(5S)-3-(4-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.000000317
(5S)-3-(4-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000073
(5S)-3-(4-acetylphenyl)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000204
(5S)-3-(4-acetylphenyl)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000128
(5S)-3-(4-fluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000957
(5S)-3-(4-fluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000207
(5S)-3-(4-fluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000956
(5S)-3-(4-fluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000122
(5S)-3-[3-(acetylamino)phenyl]-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000389
(5S)-3-[3-(acetylamino)phenyl]-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000051
(5S)-3-[3-(acetylamino)phenyl]-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000476
(5S)-3-[3-(acetylamino)phenyl]-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000086
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000245
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000013
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.0000163
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000006
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
wild-type protein
0.00000027
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
D30N/L63P/N88D mutant protein
0.000001
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.0000042
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
I50V/A71V mutant protein
0.0000074
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.00000565
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00006734
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000136
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-(3-nitrophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.0000054
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-(3-nitrophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000049
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-[3-(methylsulfonyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000174
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-[3-(methylsulfonyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000252
(5S)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000235
(5S)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000457
(5S)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000286
(5S)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000749
(5S)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000196
(5S)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00001015
(5S)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000206
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.0000055
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000142
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000436
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000239
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.0000106
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000016
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
wild-type protein
0.00000059
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
D30N/L63P/N88D mutant protein
0.0000021
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.0000077
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.0000125
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
I50V/A71V mutant protein
0.000000347
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000147
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000117
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(3-nitrophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000648
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(3-nitrophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000167
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00001078
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000025
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-[3-(methylsulfonyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000416
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-[3-(methylsulfonyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000033
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000121
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000097
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000186
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000026
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000338
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000016
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000296
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000015
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.0000035
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000232
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000518
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000008
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000212
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000133
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000003
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000003
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-[3-(methylsulfonyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000245
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-[3-(methylsulfonyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000136
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000571
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000225
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000995
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000385
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00000736
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.00004046
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.000000448
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22C
0.0000000075
(hydroxyetyhl)amide isostere
-
-
-
0.461
(R)-1-benzyl-3-(1-benzyl-2-oxo-ethyl)-1-piperidin-1-yl-urea
-
-
0.00000007
(R)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(3,4-methylenedioxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
0.000000134
(R)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(3-methoxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
0.000000152
(R)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(4-ethoxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
0.000000138
(R)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(4-methoxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
0.000000163
(R)-N-(2-methylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(3,4-methylenedioxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
0.000000255
(R)-N-(2-methylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(3-methoxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
0.00000031
(R)-N-(2-methylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(4-ethoxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
0.000000311
(R)-N-(2-methylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(4-methoxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
0.0262
(S)-1-benzyl-3-(1-benzyl-2-oxo-ethyl)-1-piperidin-1-yl-urea
-
-
0.00000075
(S)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(3-methoxyphenyl)-butanoyl]-3,3-dimethylpyrrolidine-2-carboxamide
-
-
0.000000861
(S)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(4-ethoxyphenyl)-butanoyl]-3,3-dimethylpyrrolidine-2-carboxamide
-
-
0.000000804
(S)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(4-methoxyphenyl)-butanoyl]-3,3-dimethylpyrrolidine-2-carboxamide
-
-
0.0343
(S,S)-1-[1-benzyl-3-(1-benzyl-2-oxo-ethyl)-ureido]-pyrrolidine-2-carboxylic acid tert-butylamide
-
-
0.1486
(S,S,S,S)-1-[1-benzyl-3-(1-benzyl-2-oxo-ethyl)-ureido]-pyrrolidine-2-carboxylic acid [1-(1-tert-butylcarbamoyl-2-methyl-propylcarbamoyl)-2-methyl-butyl]-amide
-
-
0.000003
1,3,4,7-tetrabenzyl-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.292
1-(benzyl[[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoyl]amino)-L-prolyl-N-tert-butyl-L-valinamide
-
-
0.099
1-[(3R)-3-benzyl-3-([N-[(benzyloxy)carbonyl]-L-valyl]amino)-4-oxobutyl]-L-prolyl-N-tert-butyl-L-valinamide
-
-
0.574
1-[(3R)-3-benzyl-3-([N-[(benzyloxy)carbonyl]-L-valyl]amino)-4-oxobutyl]-N-tert-butyl-L-prolinamide
-
-
0.0000006
2-[2-[5-[2-(2-amino-propionylamino)-propionylamino]-4-hydroxy-2,6-diphenyl-hexanoylamino]-3-methyl-butyrylamino]-3-methyl-butyric acid methyl ester
-
-
0.000003
2-[2-[5-[2-(2-amino-propionylamino)-propionylamino]-4-hydroxy-2-methyl-6-phenyl-hexanoylamino]-3-methyl-butyrylamino]-3-methyl-butyric acid methyl ester
-
-
0.0000012
2-[2-[5-[2-(2-amino-propionylamino)-propionylamino]-4-hydroxy-6-phenyl-2-propyl-hexanoylamino]-3-methyl-butyrylamino]-3-methyl-butyric acid methyl ester
-
-
0.000004
2-[2-[5-[2-(2-amino-propionylamino)-propionylamino]-4-hydroxy-6-phenyl-hexanoylamino]-3-methyl-butyrylamino]-3-methyl-butyric acid methyl ester
-
-
0.00005
3,4-dihydroxy-N-[(2S,3R)-3-hydroxy-4-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]benzamide
-
wild-type protein
0.000066
3,4-dihydroxy-N-[(2S,3R)-3-hydroxy-4-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]benzamide
-
D30N/L63P/N88D mutant protein
0.00014
3,4-dihydroxy-N-[(2S,3R)-3-hydroxy-4-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]benzamide
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.00038
3,4-dihydroxy-N-[(2S,3R)-3-hydroxy-4-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]benzamide
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.000042
3-fluoro-N-[(2S,3R)-3-hydroxy-4-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]-2-methylbenzamide
-
wild-type protein
0.000079
3-fluoro-N-[(2S,3R)-3-hydroxy-4-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]-2-methylbenzamide
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.000085
3-fluoro-N-[(2S,3R)-3-hydroxy-4-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]-2-methylbenzamide
-
D30N/L63P/N88D mutant protein
0.00026
3-fluoro-N-[(2S,3R)-3-hydroxy-4-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]-2-methylbenzamide
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.0000023
3-[3-[2-[2-(ioquinolin-5-yloxy)-acetylamino]-3-methylsulfanyl-propionylamino]-2-methoxy-4-phenyl-butyryl]-5,5-dimethyl-thiazolidine-4-carboxylic acid tert-butylamide
-
-
-
0.000036
4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis(benzylsulfamoyl)]dibenzamide
-
mutant I84V, pH 5.5
0.00026
4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis(benzylsulfamoyl)]dibenzamide
-
wild-type, pH 5.5
0.0014
4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis(benzylsulfamoyl)]dibenzamide
-
mutant I50V, pH 5.5
0.00007
4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis[[4-(trifluoromethyl)benzyl]sulfamoyl]]dibenzamide
-
wild-type, pH 5.5
0.00012
4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis[[4-(trifluoromethyl)benzyl]sulfamoyl]]dibenzamide
-
mutant I84V, pH 5.5
0.00026
4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis[[4-(trifluoromethyl)benzyl]sulfamoyl]]dibenzamide
-
mutant I50V, pH 5.5
0.00024
4,7-dibenzyl-1,3-bis(2-chlorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.0011
4,7-dibenzyl-1,3-bis(2-ethoxyethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.000034
4,7-dibenzyl-1,3-bis(2-fluorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.000036
4,7-dibenzyl-1,3-bis(3,3-dimethylbutyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.0000014
4,7-dibenzyl-1,3-bis(3-bromobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.00000089
4,7-dibenzyl-1,3-bis(3-chlorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.000003
4,7-dibenzyl-1,3-bis(3-fluorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.000027
4,7-dibenzyl-1,3-bis(4-bromobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.0000052
4,7-dibenzyl-1,3-bis(4-chlorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.0000014
4,7-dibenzyl-1,3-bis(4-fluorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.0000013
4,7-dibenzyl-1,3-bis(cyclobutylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.000037
4,7-dibenzyl-1,3-bis(cyclohexylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.0000043
4,7-dibenzyl-1,3-bis(cyclopentylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.0000021
4,7-dibenzyl-1,3-bis(cyclopropylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.00006
4,7-dibenzyl-1,3-bis[2-(ethenyloxy)ethyl]-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.0000014
4,7-dibenzyl-1,3-dibutyl-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.0001
4,7-dibenzyl-1,3-diethyl-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.00026
4,7-dibenzyl-1,3-diheptyl-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.0000046
4,7-dibenzyl-1,3-dihexyl-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.00011
4,7-dibenzyl-1-decyl-5,6-dihydroxy-3-nonyl-1,3-diazepan-2-one
-
-
0.0019
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methoxybenzyl)-1,3-diazepan-2-one
-
-
0.00079
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methoxyethyl)-1,3-diazepan-2-one
-
-
0.0000072
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methylprop-2-en-1-yl)-1,3-diazepan-2-one
-
-
0.000049
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methylpropyl)-1,3-diazepan-2-one
-
-
0.00000012
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-hydroxybenzyl)-1,3-diazepan-2-one
-
-
0.00000042
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-iodobenzyl)-1,3-diazepan-2-one
-
-
0.0000016
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methoxybenzyl)-1,3-diazepan-2-one
-
-
0.0000071
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methylbenzyl)-1,3-diazepan-2-one
-
-
0.0000018
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methylbut-2-en-1-yl)-1,3-diazepan-2-one
-
-
0.000012
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methylbutyl)-1,3-diazepan-2-one
-
-
0.0000028
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-nitrobenzyl)-1,3-diazepan-2-one
-
-
0.00000012
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-hydroxybenzyl)-1,3-diazepan-2-one
-
-
0.00016
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-methoxybenzyl)-1,3-diazepan-2-one
-
-
0.0000058
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-methylbenzyl)-1,3-diazepan-2-one
-
-
0.0000071
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-methylpentyl)-1,3-diazepan-2-one
-
-
0.00003
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(5-methylhexyl)-1,3-diazepan-2-one
-
-
0.000085
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(naphthalen-1-ylmethyl)-1,3-diazepan-2-one
-
-
0.00000031
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(naphthalen-2-ylmethyl)-1,3-diazepan-2-one
-
-
0.00014
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(pyridin-2-ylmethyl)-1,3-diazepan-2-one
-
-
0.0000098
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(pyridin-3-ylmethyl)-1,3-diazepan-2-one
-
-
0.000089
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(pyridin-4-ylmethyl)-1,3-diazepan-2-one
-
-
0.0078
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[2-(2-methoxyethoxy)ethyl]-1,3-diazepan-2-one
-
-
0.004
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[2-(morpholin-4-yl)ethyl]-1,3-diazepan-2-one
-
-
0.00000014
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[3-(hydroxymethyl)benzyl]-1,3-diazepan-2-one
-
-
0.000022
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[3-(trifluoromethyl)benzyl]-1,3-diazepan-2-one
-
-
0.00000034
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-one
-
-
0.0017
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-one
-
-
0.000051
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(trifluoromethyl)benzyl]-1,3-diazepan-2-one
-
-
0.0000052
4,7-dibenzyl-5,6-dihydroxy-1,3-di(prop-2-en-1-yl)-1,3-diazepan-2-one
-
-
0.000022
4,7-dibenzyl-5,6-dihydroxy-1,3-di(prop-2-yn-1-yl)-1,3-diazepan-2-one
-
-
0.0058
4,7-dibenzyl-5,6-dihydroxy-1,3-dimethyl-1,3-diazepan-2-one
-
-
0.0000016
4,7-dibenzyl-5,6-dihydroxy-1,3-dipentyl-1,3-diazepan-2-one
-
-
0.0000079
4,7-dibenzyl-5,6-dihydroxy-1,3-dipropyl-1,3-diazepan-2-one
-
-
0.00000127
4-amino-N-[(2R,3S)-3-{[(aminooxy)carbonyl]amino}-2-hydroxy-4-phenylbutyl]-N-{[(2S)-5-oxopyrrolidin-2-yl]methyl}benzenesulfonamide
-
-
0.0016
4-[[(6-[[(4-aminothiophen-2-yl)carbonyl]amino]-1,3-benzoxazol-2-yl)carbonyl]amino]thiophene-2-carboxylic acid
-
wild-type protein
0.0000045
A-74704
-
-
0.0000052
Ac-His-Gly-Trp-Ile-PSI[N-CH(CH2(CH3)2)-CH(OH)-CH2-CH2-C(O)]-Glu-His-Gly-Asp-NH2
-
-
0.000002
Ace-T-I-Nle-r-Nle-Q-R
-
pH 5.0, 25C, mutant L24I
0.0000022
Ace-T-I-Nle-r-Nle-Q-R
-
pH 5.0, 25C, wild-type enzyme
0.0000033
Ace-T-I-Nle-r-Nle-Q-R
-
pH 5.0, 25C, mutant G73S
0.000041
Ace-T-I-Nle-r-Nle-Q-R
-
pH 5.0, 25C, mutant I50V
0.00053
Ace-T-I-Nle-r-Nle-Q-R
-
mutant V82A enzyme
0.00217
Ace-T-I-Nle-r-Nle-Q-R
-
wild-type enzyme
0.013
Ace-T-I-Nle-r-Nle-Q-R
-
mutant I84V enzyme
0.00002
acetyl-pepstatin
-
pH 4.7, competitive versus YVSQNFPIVQNR
0.000000021
AG1776
-
pH 4.7, 37C, recombinant LAI wild-type enzyme
0.00000004
AG1776
-
pH 4.7, 37C, recombinant V6 wild-type enzyme
0.00000019
AG1776
-
pH 4.7, 37C, recombinant V6 mutant I54V
0.0000005
AG1776
-
pH 4.7, 37C, recombinant V6 mutant M46I
0.00000055
AG1776
-
pH 4.7, 37C, recombinant V6 mutant I84V
0.0000022
AG1776
-
pH 4.7, 37C, recombinant V6 mutant M46I/I84V
0.0000056
AG1776
-
pH 4.7, 37C, recombinant V6 mutant M46I/I54V/I84V
0.0000094
AG1776
-
pH 4.7, 37C, recombinant V6 mutant I54V/I84V
0.000027
allyl N-[(1R,2S)-1-benzyl-2-hydroxy-3-[(4S)-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]propyl]carbamate
-
in 50 mM sodium acetate, pH 5.5, 100 mM NaCl, 1 mg/ml bovine serum albumin, at 30C
-
0.0000001
amprenavir
-
wild-type enzyme
0.0000001
amprenavir
-
wild-type protein
0.00000015
amprenavir
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.00000017
amprenavir
-
-
0.00000017
amprenavir
Q7SSE3
wild type enzyme, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
0.00000021
amprenavir
-
D30N/L63P/N88D mutant protein
0.00000029
amprenavir
-
HIV-1 subtype C protease
0.00000034
amprenavir
-
I50V/A71V mutant protein
0.000000359
amprenavir
-
-
0.0000004
amprenavir
-
HIV-1 subtype B protease
0.0000006
amprenavir
-
-
0.0000014
amprenavir
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.00000324
amprenavir
Q7SSE3
mutant enzyme V32I/I47V/V82I, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
3.36
Arg-Glu-Asp
-
25C, pH 4.25
0.97
Asp-Asp
-
25C, pH 4.25
0.14
Asp-Asp-Leu
-
25C, pH 4.25
0.043
Asp-Asp-Phe
-
25C, pH 4.4
0.23
Asp-Glu-Leu
-
25C, pH 4.25
0.27
Asp-Leu-Ala-Phe
-
25C, pH 4.25
0.000000009
atazanavir
-
D30N/L63P/N88D mutant protein
0.000000046
atazanavir
-
wild-type enzyme
0.000000046
atazanavir
-
wild-type protein
0.00000005
atazanavir
-
-
0.00000007
atazanavir
-
HIV-1 subtype B protease
0.00000013
atazanavir
-
HIV-1 subtype C protease
0.00000033
atazanavir
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.00000048
atazanavir
-
-
0.00000049
atazanavir
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.0000005
atazanavir
-
wild-type protein
0.0000065
atazanavir
-
L63P/V82T/I84V mutant protein
0.000017
ATBI
-
natural ATBI
0.000000739
compound J
-
-
0.000000005
darunavir
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.000000008
darunavir
-
wild-type enzyme
0.000000008
darunavir
-
wild-type protein
0.00000001
darunavir
-
-
0.000000025
darunavir
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.00000004
darunavir
Q7SSE3
mutant enzyme V32I/I47V/V82I, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C; wild type enzyme, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37C
0.000000041
darunavir
-
D30N/L63P/N88D mutant protein
0.00000033
darunavir
-
I50V/A71V mutant protein
0.00000042
darunavir
-
wild-type, pH 5.6, 26C
0.0000011
darunavir
-
wild-type protein
0.0000022
darunavir
-
mutant I54M, pH 5.6, 26C
0.000006
darunavir
-
mutant I54V, pH 5.6, 26C
0.00001
darunavir
-
mutant I50V, pH 5.6, 26C
0.000036
darunavir
-
mutant G48V, pH 5.6, 26C
0.5
E-R-Q-A-N-r-F-L-G-K-I
-
above, wild-type enzyme, mutant V82A enzyme, and mutant I84V enzyme
0.000034
ethyl N-[(1R,2S)-1-benzyl-2-hydroxy-3-[(4S)-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]propyl]carbamate
-
in 50 mM sodium acetate, pH 5.5, 100 mM NaCl, 1 mg/ml bovine serum albumin, at 30C
-
0.098
FLREDLAF
-
25C, pH 4.25
0.004
ganomycin B
-
-
0.064
GEDLAF
-
25C, pH 4.25
3.07
Glu-Asn-Leu
-
25C, pH 4.25
0.05
Glu-Asp-Leu
-
25C, pH 4.25
0.16
Glu-Asp-Leu-Ala
-
25C, pH 4.25
0.025
Glu-Asp-Phe
-
25C, pH 4.25
0.31
Glu-Glu-Leu
-
25C, pH 4.25
2.01
Glu-Lys-Phe
-
25C, pH 4.25
0.00000012
indinavir
-
pH 4.7, wild-type enzyme
0.00000018
indinavir
-
wild-type enzyme
0.00000018
indinavir
-
wild-type protein
0.0000003
indinavir
-
wild-type protein
0.00000049
indinavir
-
wild-type
0.00000054
indinavir
-
pH 5.0, 25C, wild-type enzyme
0.00000055
indinavir
-
pH 5.0, 25C, mutant G73S
0.00000073
indinavir
-
D30N/L63P/N88D mutant protein
0.0000012
indinavir
-
mutant V82A
0.0000014
indinavir
-
pH 5.0, 25C, mutant L24I
0.0000018
indinavir
-
HIV-1 subtype B protease
0.0000031
indinavir
-
pH 4.7, 37C, recombinant LAI wild-type enzyme
0.0000033
indinavir
-
HIV-1 subtype C protease
0.0000039
indinavir
-
-
0.000021
indinavir
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.000027
indinavir
-
pH 5.0, 25C, mutant I50V
0.000034
indinavir
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.000062
indinavir
-
pH 4.7, 37C, recombinant V6 mutant M46I/I84V
0.000069
indinavir
-
pH 4.7, 37C, recombinant V6 wild-type enzyme
0.000219
indinavir
-
mutant V82F/I84V
0.000289
indinavir
-
pH 4.7, 37C, recombinant V6 mutant I84V
0.000398
indinavir
-
pH 4.7, 37C, recombinant V6 mutant I54V
0.001963
indinavir
-
pH 4.7, 37C, recombinant V6 mutant M46I
0.002914
indinavir
-
pH 4.7, 37C, recombinant V6 mutant M46I/I54V/I84V
0.004235
indinavir
-
pH 4.7, 37C, recombinant V6 mutant I54V/I84V
0.00000024
JG-365
-
-
0.00000066
JG365
-
-
0.000000005
lopinavir
-
wild-type enzyme
0.000000005
lopinavir
-
wild-type protein
0.000000016
lopinavir
-
-
0.000000018
lopinavir
-
pH 4.7, wild-type enzyme
0.00000004
lopinavir
-
D30N/L63P/N88D mutant protein
0.00000005
lopinavir
-
-
0.00000011
lopinavir
-
HIV-1 subtype B protease
0.00000019
lopinavir
-
HIV-1 subtype C protease
0.0000009
lopinavir
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.0000014
lopinavir
-
wild-type protein
0.0000061
lopinavir
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.002755
methyl (7S,10R,16S)-10-benzyl-13-(4-bromobenzyl)-10-hydroxy-7-isopropyl-17,17-dimethyl-6,9,15-trioxo-2-oxa-5,8,13,14-tetraazaoctadecan-16-ylcarbamate
-
wild-type protein
0.0000032
methyl (7S,10S,16S)-10-benzyl-13-(4-bromobenzyl)-10-hydroxy-7-isopropyl-17,17-dimethyl-6,9,15-trioxo-2-oxa-5,8,13,14-tetraazaoctadecan-16-ylcarbamate
-
wild-type protein
0.00124
methyl (S)-1-(2-((R)-3-benzyl-3-hydroxy-4-((S)-3-methyl-1-(methylamino)-1-oxobutan-2-ylamino)-4-oxobutyl)-2-(4-bromobenzyl)hydrazinyl)-3,3-dimethyl