Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM833
Substrate
HIV-1 Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.5±n/a
Temperature
303.15±n/a K
IC50
130±12 nM
Citation
 Lyle, TA; Wiscount, CM; Guare, JP; Thompson, WJ; Anderson, PS; Darke, PL; Zugay, ZA; Emini, EA; Schleif, WA; Qunitero, JC Benzocycloalkyl amines as novel C-termini for HIV protease inhibitors. J Med Chem 34:1228-30 (1991) [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:
BDBM833
Synonyms:
Benzocycloalkyl Amines deriv. 3 | Benzocycloalkyl Amines deriv. 4 | CHEMBL439725 | tert-butyl N-[(2S,3S,5R)-5-benzyl-5-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-3-hydroxy-1-phenylpentan-2-yl]carbamate
Type:
Small organic molecule
Emp. Form.:
C33H40N2O4
Mol. Mass.:
528.6817
SMILES:
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1Cc2ccccc2C1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
HIV-1 Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
4618.57
Organism:
n/a
Description:
n/a
Residue:
43
Sequence:
NHVALSERGLNASNETANAPTHYLALANINEPRVALILEGLNH