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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50011682
Substrate
n/a
Meas. Tech.
ChEMBL_158033 (CHEMBL768257)
IC50
14±n/a nM
Citation
 Waller, CL; Oprea, TI; Giolitti, A; Marshall, GR Three-dimensional QSAR of human immunodeficiency virus (I) protease inhibitors. 1. A CoMFA study employing experimentally-determined alignment rules. J Med Chem 36:4152-60 (1994) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10781.16
Organism:
Human immunodeficiency virus type 1
Description:
P04585[489-587]
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM50011682
Synonyms:
Ac-Ser-Leu-Asn-Phe-HEA(S)-Pro-O-terbutyl | BDBM50407039 | CHEMBL131802
Type:
Small organic molecule
Emp. Form.:
C34H54N6O9
Mol. Mass.:
690.8274
SMILES:
CC(C)C[C@H](NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCC[C@H]1C(=O)OC(C)(C)C
Structure:
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