Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM640
Substrate
Peptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
6±n/a
Temperature
310.15±n/a K
IC50
150±n/a nM
Citation
 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL Synthesis and structure-activity relationships of a series of penicillin-derived HIV proteinase inhibitors containing a stereochemically unique peptide isostere. J Med Chem 36:3129-36 (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:
BDBM640
Synonyms:
(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | [2R-[2a(R*),4B(R)]]-5,5-Dimethyl-a-[(phenylacety1)amino]-N-(phenylmethyl)-4-[[[1-(2-phenyl-1-( hydroxymethyl))ethyl]amino]carbonyl]-2-thiazolidineacetamide | penicillin deriv. 53
Type:
Small organic molecule
Emp. Form.:
C32H38N4O4S
Mol. Mass.:
574.734
SMILES:
[H][C@]1(N[C@@H](C(=O)N[C@@H](CO)Cc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Peptide substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
1467.64
Organism:
n/a
Description:
n/a
Residue:
13
Sequence:
KQGTVSFNFPQIT