Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50000813
Substrate
n/a
Meas. Tech.
ChEMBL_158036 (CHEMBL768260)
Ki
2.9±n/a nM
Citation
 Doweyko, AM Three-dimensional pharmacophores from binding data. J Med Chem 37:1769-78 (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:
BDBM50000813
Synonyms:
CHEMBL52051
Type:
Small organic molecule
Emp. Form.:
C30H34F2N4O3
Mol. Mass.:
536.6128
SMILES:
CC(C)[C@H](NC(=O)NCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)CCc1ccccc1
Structure:
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