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Information on EC 3.4.23.16 - HIV-1 retropepsin
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3.4.23.16 HIV-1 retropepsinSpecify your search results
Word Map
- 3.4.23.16
- viral
-
antiretroviral
-
antiviral
- proteases
- flap
- ritonavir
- saquinavir
-
drug-resistant
- indinavir
- polyproteins
- nelfinavir
- darunavir
- virion
-
pharmacokinetic
- amprenavir
- gag-pol
-
hiv-1-infected
-
retroviral
- lopinavir
-
peptidomimetic
-
virological
- isostere
-
waals
-
cross-resistance
-
integrase
-
nonpeptidic
-
protein-ligand
- atazanavir
-
haart
-
anti-hiv-1
- zidovudine
-
virus-1
-
poisson-boltzmann
- drv
-
nnrti
-
autoprocessing
- lipodystrophy
- tipranavir
-
protease-inhibitors
- drug development
-
nonnucleoside
-
mm-pbsa
-
treatment-experienced
- analysis
-
ritonavir-boosted
- nevirapine
- pharmacology
-
stanford
-
pi-based
- medicine
-
inhibitor-resistant
- efavirenz
-
anti-aids
-
treatment-naive
The expected taxonomic range for this enzyme is: Human immunodeficiency virus 1
Reaction Schemes
specific for a P1 residue that is hydrophobic, and P1' variable, but often Pro
Synonyms
CRF01_AE protease, Gag protease, HIV aspartyl protease, HIV PR, HIV-1 aspartyl protease, HIV-1 PR, HIV-1 protease, HIV-1 proteinase, HIV-1PR, HIVPR, 
more
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SYNONYM 
ORGANISM
UNIPROT
COMMENTARY 
LITERATURE
Gag protease
-
-
-
-
HIV aspartyl protease
-
-
-
-
HIV-1 PR
HIV-1 protease
HIV-1 proteinase
human immunodeficiency virus type 1 protease
-
-
-
-
retropepsin
-
-
-
-
retroproteinase
-
-
-
-
additional information
-
the enzyme belongs to the peptidase family A2
HIV-1 protease
-
-
-
-
HIV-1 protease
-
-
662382, 664013, 664137, 664299, 664605, 664895, 665976, 665991, 666016, 666063, 666078, 666106, 666190, 666873, 666884, 678249, 678341, 678731, 680381, 680778, 680900, 681109, 682522, 707173, 707179, 707180, 707378, 707444, 707528, 707682, 707692, 707721, 707740, 708083, 708383, 708386, 708410, 708877, 709258, 709332, 709443, 709467, 709481, 709579, 709580, 709582, 709592, 709660, 709749, 710216, 710346, 710383, 710390, 710423, 717096, 717302, 717327, 717348, 717709, 717975, 717976, 717998, 718075, 718440
HIV-1 protease
-
pentamutated protease: subtype B PMPR, K55C, D25N
HIV-1 proteinase
-
-
-
-
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REACTION
REACTION DIAGRAM
COMMENTARY
ORGANISM
UNIPROT
LITERATURE
specific for a P1 residue that is hydrophobic, and P1' variable, but often Pro
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
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
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
the active site structure and conformational flexibility
-
specific for a P1 residue that is hydrophobic, and P1' variable, but often Pro
-
-
-
-
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REACTION TYPE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
hydrolysis of peptide bond
-
-
-
-
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CAS REGISTRY NUMBER
COMMENTARY
144114-21-6
-
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SUBSTRATE
PRODUCT
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate)
(Substrate)
LITERATURE
(Substrate)
(Substrate)
COMMENTARY
(Product)
(Product)
LITERATURE
(Product)
(Product)
Reversibility
r=reversible
ir=irreversible
?=not specified
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
-
-
-
-
?
2-aminobenzoyl-TI-Nle-Phe(NO2)-ER + H2O
2-aminobenzoyl-Thr-Ile-Nle + Phe(NO2)-Glu-Arg
-
-
-
-
?
2-aminobenzoyl-TI-Nle-Phe(NO2)-QR + H2O
2-aminobenzoyl-Thr-Ile-Nle + Phe(NO2)-Gln-Arg
-
-
-
-
?
2-aminobenzoyl-TI-Nle-Phe(NO2)-QR-NH2 + H2O
2-aminobenzoyl-Thr-Ile-Nle + Phe(NO2)-Gln-Arg-NH2
-
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
?
-
-
-
-
?
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
-
-
-
-
?
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
-
-
-
-
?
Abz-KARV-Nle-Phe(NO2)-EA-Nle-NH2 + H2O
Abz-KARV-Nle + Phe(NO2)-EA-Nle-NH2
-
-
-
-
?
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
-
-
-
-
?
Abz-Thr-Ile-Nle-(p-nitro)Phe-Gln-Arg-NH2 + H2O
Abz-Thr-Ile-Nle + (p-nitro)Phe-Gln-Arg-NH2
-
-
-
-
?
Abz-Thr-Ile-Nle-4-nitro-Phe-Gln-Arg-NH2 + H2O
Abz-Thr-Ile-Nle + 4-nitro-Phe-Gln-Arg-NH2
-
the fluorogenic peptide substrate
-
-
?
Abz-Thr-Ile-Nle-Phe(NO2)-Gln-Arg + H2O
Abz-Thr-Ile-Nle + Phe(NO2)-Gln-Arg
-
-
-
-
?
Abz-Thr-Nle-Phe(NO2)-QR-NH2 + H2O
Abz-Thr-Ile-Nle + Phe(NO2)-Gln-Arg-NH2
-
-
-
-
?
Ac-KASQ(p-nitrophenylalanine)PPV-NH2 + H2O
Ac-KASQ + (4-nitro)FPPV-NH2
-
-
-
-
?
Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys-(DABCYL)-Arg + H2O
?
-
-
-
-
?
Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg + H2O
?
-
-
-
-
?
Arg-Glu-[5-[(2'-aminoethyl)-amino]naphthalenesulfonyl]-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys-[4-[[4'-(dimethylamino)phenyl]azo]-benzoyl]-Arg + H2O
?
-
-
-
-
?
Arg-Pro-Gly-Asn-Phe-Leu-Gln-Ser-Arg-Pro + H2O
?
decameric p1-p6 peptide
-
-
?
ATHDVY-Phe(NO2)-VRKA + H2O
ATHDVY + Phe(NO2)-VRKA
-
-
-
?
ATHNVY-Phe(NO2)-VRKA + H2O
ATHNVY + Phe(NO2)-VRKA
-
-
-
?
ATHQVY-Phe(NO2)-VRKA + H2O
ATHQVY + Phe(NO2)-VRKA
-
-
-
?
ATHRVY-Phe(NO2)-VRKA + H2O
ATHRVY + Phe(NO2)-VRKA
-
-
-
?
ATHVVY-Phe(NO2)-VRKA + H2O
ATHVVY + Phe(NO2)-VRKA
-
-
-
?
ATHYVY-Phe(NO2)-VRKA + H2O
ATHYVY + Phe(NO2)-VRKA
-
-
-
?
beta-secretase + H2O
truncated beta-secretase protein + peptide E25-F39
-
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
-
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
-
-
?
DABCYL-(gamma-Abu)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS + H2O
?
-
-
-
-
?
eIF4GI + H2O
?
-
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 precursor protein + H2O
?
-
five different cleavage sites, the p2-NC-site is the first, the CA/p2 the last one in sequential processing of the precursor
-
-
?
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
-
-
-
-
?
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
-
-
-
-
?
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
-
-
-
-
?
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
-
-
-
-
?
His-Lys-Ala-Arg-Val-Leu-(pNO2-Phe)-Glu-Ala-Nle-Ser-NH2 + H2O
?
-
-
-
-
?
HIV-1 Gag-Pol polyprotein + H2O
?
-
site-specific proteolytic cleavage, protein precursors and peptides derived thereof
-
-
?
HIV-2 Gag-Pol poylprotein + H2O
?
-
site-specific proteolytic cleavage, protein precursors and peptides derived thereof
-
-
?
IPFAAAQQRK + H2O
IPFAA + AQQRK
the protein contains a HIV-2 cleavage site
-
-
?
KARA-Nle-Phe(NO2)-EA-Nle + H2O
KARA-Nle + Phe(NO2)-EA-Nle
-
-
-
?
KARI-Nle-Phe(NO2)-EA-Nle + H2O
KARI-Nle + Phe(NO2)-EA-Nle
-
-
-
?
KARL-Nle-Phe(NO2)-EA-Nle + H2O
KARL-Nle + Phe(NO2)-EA-Nle
-
-
-
?
KARLMAEALK + H2O
KARLM + AEALK
the protein contains a HIV-2 cleavage site
-
-
?
KARN-Nle-Phe(NO2)-EA-Nle + H2O
KARN-Nle + Phe(NO2)-EA-Nle
-
-
-
?
KARV-Nle-Phe(NO2)-AA-Nle + H2O
KARV-Nle + Phe(NO2)-AA-Nle
-
-
-
?
KARV-Nle-Phe(NO2)-IA-Nle + H2O
KARV-Nle + Phe(NO2)-IA-Nle
-
-
-
?
KARV-Nle-Phe(NO2)-NA-Nle + H2O
KARV-Nle + Phe(NO2)-NA-Nle
-
-
-
?
KARV-Nle-Phe(NO2)-QA-Nle + H2O
KARV-Nle + Phe(NO2)-QA-Nle
-
-
-
?
KARV-Nle-Phe(NO2)-TA-Nle + H2O
KARV-Nle + Phe(NO2)-TA-Nle
-
-
-
?
KARV-Nle-Phe(NO2)-VA-Nle + H2O
KARV-Nle + Phe(NO2)-VA-Nle
-
-
-
?
KARVMPhe(NO2)-EA-Nle + H2O
KARVM + Phe(NO2)-EA-Nle
-
-
-
?
KARVYPhe(NO2)-EA-Nle + H2O
KARVY + Phe(NO2)-EA-Nle
-
-
-
?
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
Lys-Ala-Arg-Val-Leu-Ala-Glu-Ala-Met + H2O
?
-
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
-
-
-
-
?
Lys-Ala-Arg-Val-Nle-(4-nitrophenylalanine)-Glu-Ala-Nle-NH2 + H2O
Lys-Ala-Arg-Val-Nle + (4-nitrophenylalanine)-Glu-Ala-Nle-NH2
-
-
-
-
?
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
-
-
-
-
?
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
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
-
-
-
-
?
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
-
-
-
-
?
Lys-Ala-Arg-Val-Tyr-p-nitro-Phe-Glu-Ala-Ile-NH2 + H2O
?
-
-
-
-
?
Moloney murine sarcoma virus-derived gag protein + H2O
?
-
-
-
-
?
Val-Ser-Gln-Ala-Tyr-Pro-Ile-Val-Gln + H2O
Val-Ser-Gln-Ala-Tyr + Pro-Ile-Val-Gln
-
-
-
?
Val-Ser-Gln-Asn-(2-naphthylalanine)-Pro-Ile-Val + H2O
?
-
-
-
-
?
Val-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln + H2O
Val-Ser-Gln-Asn-Tyr + Pro-Ile-Val-Gln
-
-
-
?
Val-Ser-Gln-Cys-Tyr-Pro-Ile-Val-Gln + H2O
Val-Ser-Gln-Cys-Tyr + Pro-Ile-Val-Gln
-
-
-
?
Val-Ser-Gln-Gly-Tyr-Pro-Ile-Val-Gln + H2O
Val-Ser-Gln-Gly-Tyr + Pro-Ile-Val-Gln
-
-
-
?
Val-Ser-Gln-Ile-Tyr-Pro-Ile-Val-Gln + H2O
Val-Ser-Gln-Ile-Tyr + Pro-Ile-Val-Gln
-
-
-
?
Val-Ser-Gln-Leu-Tyr-Pro-Ile-Val-Gln + H2O
Val-Ser-Gln-Leu-Tyr + Pro-Ile-Val-Gln
-
-
-
?
Val-Ser-Gln-Phe-Tyr-Pro-Ile-Val-Gln + H2O
Val-Ser-Gln-Phe-Tyr + Pro-Ile-Val-Gln
-
-
-
?
Val-Ser-Gln-Thr-Tyr-Pro-Ile-Val-Gln + H2O
Val-Ser-Gln-Thr-Tyr + Pro-Ile-Val-Gln
-
-
-
?
Val-Ser-Gln-Val-Tyr-Pro-Ile-Val-Gln + H2O
Val-Ser-Gln-Val-Tyr + Pro-Ile-Val-Gln
-
-
-
?
VSQLYPIVQ + H2O
VSQLY + PIVQ
the protein contains a HIV-1 cleavage site
-
-
?
VSQVYPIVQ + H2O
VSQVY + PIVQ
the protein contains a HIV-1 cleavage site
-
-
?
YVSQNFPIVQNR + H2O
YVSQNF + PIVQNR
-
synthetic peptide substrate based on the Ma/Ca cleavage site of HIV-1 Gag
-
-
?
Gag polyprotein + H2O
?
-
-
-
-
?
Gag polyprotein + H2O
?
-
CA/p2 cleavage site is KARVL*AEAMS
-
-
?
Gag protein + H2O
?
-
proteolytic cleavage in the host cell cytoplasm
-
-
?
Gag protein + H2O
?
-
site-specific proteolytic cleavage of the protein precursor
-
-
?
Gag-Pol polyprotein + H2O
?
-
-
-
-
?
Gag-Pol polyprotein + H2O
?
-
proteolytic cleavage in the host cell cytoplasm
-
-
?
Gag-Pol polyprotein + H2O
?
-
NC/p1 cleavage site is ERQAN*FLGKI
-
-
?
Gag-Pol polyprotein + H2O
?
-
site-specific proteolytic cleavage of the protein precursor
-
-
?
KARV-Nle-Phe(NO2)-EA-Nle + H2O
KARV-Nle + Phe(NO2)-EA-Nle
-
-
-
-
-
KARV-Nle-Phe(NO2)-EA-Nle + H2O
KARV-Nle + Phe(NO2)-EA-Nle
-
-
-
?
KARV-Nle-Phe(NO2)-EA-Nle-NH2 + H2O
KARV-Nle + Phe(NO2)-EA-Nle-NH2
-
-
-
-
?
KARV-Nle-Phe(NO2)-EA-Nle-NH2 + H2O
KARV-Nle + Phe(NO2)-EA-Nle-NH2
-
-
-
?
KARV-Nle-Phe(NO2)-EA-Nle-NH2 + H2O
KARV-Nle + Phe(NO2)-EA-Nle-NH2
-
-
-
?
KARV-Nle-Phe(NO2)-EA-Nle-NH2 + H2O
KARV-Nle + Phe(NO2)-EA-Nle-NH2
-
-
-
-
?
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
-
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
-
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
-
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
-
the peptide substrate mimicks the HIV-1 CA/p2 cleavage site
-
-
?
nucleocapsid protein + H2O
?
-
characterization of human immunodeficiency virus type 1 containing mutations in the nucleocapsid protein at a putative HIV-1 protease cleavage site
-
-
?
VLQNYPIVQ + H2O
VLQNY + PIVQ
the protein contains a HIV-1 cleavage site
-
-
?
VVQNYPIVQ + H2O
VVQNY + PIVQ
the protein contains a HIV-1 cleavage site
-
-
?
elF4GI + H2O
additional information
-
-
purified enzyme cleaves at positions 678-679, 681-682 and 1086-1087, separating the three domains of the initiation factor
-
-
?
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
?
-
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
-
-
-
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
NATURAL SUBSTRATE
NATURAL PRODUCT
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate)
(Substrate)
LITERATURE
(Substrate)
(Substrate)
COMMENTARY
(Product)
(Product)
LITERATURE
(Product)
(Product)
REVERSIBILITY
r=reversible
ir=irreversible
?=not specified
r=reversible
ir=irreversible
?=not specified
eIF4GI + H2O
?
-
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 protein + H2O
?
-
proteolytic cleavage in the host cell cytoplasm
-
-
?
Gag polyprotein + H2O
?
-
-
-
-
?
Gag-Pol polyprotein + H2O
?
-
-
-
-
?
Gag-Pol polyprotein + H2O
?
-
proteolytic cleavage in the host cell cytoplasm
-
-
?
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
-
-
-
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
METALS and IONS
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
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
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
INHIBITOR
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
-
-
(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-(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-[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-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-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-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-diheptyl-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-[(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-methyl-1-(phenylsulfanyl)butyl]-6-phenyl-2H-pyran-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-[(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-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-RKIL
-
product inhibition with Ac-RKILFLDG-NH2 as substrate
Ac-SQNY
-
product inhibition with Ac-RASQNYPVV or Ac-SQNYFLDG-NH2 as substrate
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
-
Arg-Leu-Ala-Phe
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
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
-
-
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
-
-
Glu-Arg-Leu-Ala
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
GRL-98065
-
I50V, V82A and I84V mutant proteins show high levels of resistence
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,S,S)[OH]-Phe-2,6-dimethylphenoxyacetyl
-
IC50: 3 nM
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
-
-
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
-
-
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
-
-
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
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
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
-
-
U-71038
-
i.e. Boc-Pro-Phe-Nalpha-MeHis-Leu-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
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
Ace-T-I-Nle-r-Nle-Q-R
-
substrate analogue, competitive inhibition of the HIV-1 protease, mimicks the p2-NC cleavage site
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
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
-
-
amprenavir
less effective on HIV-2 protease than on HIV-1 protease
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
atazanavir
-
-
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
darunavir
-
-
680381, 680900, 699546, 707512, 709443, 709481, 709749, 710390, 717096, 717348, 717971, 717975, 717976, 718370, 718373
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
-
-
664013, 665976, 666063, 666106, 680381, 681460, 699896, 707512, 707528, 709258, 709332, 709481, 709749, 710390, 717096, 717975, 718075
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
lopinavir
-
-
665976, 666106, 678346, 678616, 680381, 681460, 707512, 709481, 709749, 710390, 717096, 717971, 717975
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
nelfinavir
-
-
664013, 665976, 678616, 680381, 699896, 707378, 707512, 707528, 708410, 709258, 709467, 709749, 710346, 710390, 717096
R-V-L-r-F-E-A-Nle
-
substrate analogue, competitive inhibition of the HIV-1 protease, mimicks the CA/p2 cleavage site
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
ritonavir
-
-
664013, 665976, 666106, 678346, 678616, 680381, 681460, 699896, 707512, 709332, 709481, 709580, 709749, 710390, 717975
saquinavir
-
study on impact of active site region aspartyl residues 25 and 29 on the binding by differential scanning calorimetry
saquinavir
-
-
648142, 648162, 665976, 678346, 678616, 680381, 681460, 699546, 699896, 707512, 708410, 709258, 709332, 709467, 709481, 709749, 710390, 717096, 717975, 718370
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
tipranavir
-
-
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. 15–21 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
-
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
ACTIVATING COMPOUND
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
cyclophilin
-
human cyclophilin enhances activity, it is proposed that cyclophilin functions as an auxiliary enzyme for the protease during cleavage in the virion
-
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
-
additional information
-
casein kinase II is responsible for stimulation of HIV-1 protease in vitro
-
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
KM VALUE [mM]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.025
Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg
-
-
0.0098
His-Lys-Ala-Arg-Val-Leu-(4-nitro)Phe-Glu-Ala-Nle-Ser-amide
-
-