Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50054171
Substrate
n/a
Meas. Tech.
ChEMBL_160748 (CHEMBL769062)
Ki
0.37±n/a nM
Citation
 Wilkerson, WW; Akamike, E; Cheatham, WW; Hollis, AY; Collins, RD; DeLucca, I; Lam, PY; Ru, Y HIV protease inhibitory bis-benzamide cyclic ureas: a quantitative structure-activity relationship analysis. J Med Chem 39:4299-312 (1996) [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:
BDBM50054171
Synonyms:
1N-phenyl-3-[4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-(3-phenylcarbamoylbenzyl)-(4R,5S,6S,7R)-1,3-diazepan-1-ylmethyl]benzamide | CHEMBL137526
Type:
Small organic molecule
Emp. Form.:
C47H44N4O5
Mol. Mass.:
744.8761
SMILES:
O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2ccccc2)C(=O)N(Cc2cccc(c2)C(=O)Nc2ccccc2)[C@@H]1Cc1ccccc1
Structure:
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