Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM877
Substrate
HIV-1 Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.5±n/a
Temperature
303.15±n/a K
IC50
0.18±n/a nM
Citation
 Thompson, WJ; Fitzgerald, PM; Holloway, MK; Emini, EA; Darke, PL; McKeever, BM; Schleif, WA; Quintero, JC; Zugay, JA; Tucker, TJ Synthesis and antiviral activity of a series of HIV-1 protease inhibitors with functionality tethered to the P1 or P1' phenyl substituents: X-ray crystal structure assisted design. J Med Chem 35:1685-701 (1992) [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:
BDBM877
Synonyms:
L-685,434 deriv. 19 | N-(2(R)-Hydroxy-1(S)-indany1)-5(S)-[(tert -butyloxycarbonyl)amino]-4(S)-hydroxy-6-phenyl-2(R)-[[4-(benzyloxy)phenyl]methyl]hexanamide | tert-butyl N-[(2S,3S,5R)-5-{[4-(benzyloxy)phenyl]methyl}-3-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-1-phenylpentan-2-yl]carbamate
Type:
Small organic molecule
Emp. Form.:
C40H46N2O6
Mol. Mass.:
650.803
SMILES:
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
HIV-1 Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
4333.31
Organism:
n/a
Description:
n/a
Residue:
40
Sequence:
HVALSERGLNASNLETANAPTHYLALANINEPRILEVALH