Reaction Details
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Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM579
Substrate
Fluorogenic substrate
Meas. Tech.
Protease Inhibition Assay
pH
6.2±n/a
Temperature
310.15±n/a K
Ki
0.0055±n/a nM
Km
22000±n/a nM
Comments
The estimated Ki value is approximately 1,000 times lower than the IC50 reported in Chem. Pharm. Bull. 40:2251-2253. This discrepancy can be explained by the fact that apparent IC50 will exceed actual Ki value for tight-binding inhibitor when the enzyme concentrationis higher than the Ki value. In general, the lower the Ki, thegreater will be the discrepancy. In addition, Ki values for HIV protease inhibitors are known to be lower at higher ionic strengths (Antiviral Chem. Chemother. 2:65-73)
Citation
Kageyama, S; Mimoto, T; Murakawa, Y; Nomizu, M; Ford, H; Shirasaka, T; Gulnik, S; Erickson, J; Takada, K; Hayashi, H In vitro anti-human immunodeficiency virus (HIV) activities of transition state mimetic HIV protease inhibitors containing allophenylnorstatine. Antimicrob Agents Chemother 37:810-7 (1993) [PubMed] Article Target
Name:
Dimer of Gag-Pol polyprotein [489-587]
Synonyms:
HIV-1 Protease
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
HIV protease | HIV-1 Protease (NY5-type sequence) | HIV-1 Protease chain A | HIV-1 Protease chain B | POL_HV1N5 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10822.21
Organism:
Human immunodeficiency virus type 1
Description:
P12497[489-587]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
Component 2
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
HIV protease | HIV-1 Protease (NY5-type sequence) | HIV-1 Protease chain A | HIV-1 Protease chain B | POL_HV1N5 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10822.21
Organism:
Human immunodeficiency virus type 1
Description:
P12497[489-587]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
Inhibitor
Name:
BDBM579
Synonyms:
(4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[2-(isoquinolin-5-yloxy)acetamido]-3-(methylsulfanyl)propanamido]-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide | CHEMBL414640 | KNI-272 | Kynostatin 272 | iQoa-Mta-Apns-Thz-NH-tBu
Type:
Small organic molecule
Emp. Form.:
C33H41N5O6S2
Mol. Mass.:
667.839
SMILES:
CSC[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C |r|
Structure:
Substrate
Name:
Fluorogenic substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
4443.87
Organism:
n/a
Description:
n/a
Residue:
41
Sequence:
ARGGLEDANSSERGLNASNTYRPRILEVALLYSDACYLARG