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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50407176
Substrate
n/a
Meas. Tech.
ChEMBL_158032 (CHEMBL766933)
IC50
449.78±n/a nM
Citation
 Oprea, TI; Waller, CL; Marshall, GR Three-dimensional quantitative structure-activity relationship of human immunodeficiency virus (I) protease inhibitors. 2. Predictive power using limited exploration of alternate binding modes. J Med Chem 37:2206-15 (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:
BDBM50407176
Synonyms:
CHEMBL302516
Type:
Small organic molecule
Emp. Form.:
C38H48N2O6S
Mol. Mass.:
660.863
SMILES:
CC(C)[C@H]([C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1OCSc1ccccc1)C(=O)N[C@H]1Cc2ccccc2[C@H]1O
Structure:
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