Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50054169
Substrate
n/a
Meas. Tech.
ChEMBL_160750 (CHEMBL769064)
Ki
0.063000±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:
BDBM50054169
Synonyms:
1N-cyanomethyl-3-[4,7-dibenzyl-3-(3-cyanomethylcarbamoylbenzyl)-5,6-dihydroxy-2-oxo-(4R,5S,6S,7R)-1,3-diazepan-1-ylmethyl]benzamide | CHEMBL86454
Type:
Small organic molecule
Emp. Form.:
C39H38N6O5
Mol. Mass.:
670.7562
SMILES:
O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)NCC#N)C(=O)N(Cc2cccc(c2)C(=O)NCC#N)[C@@H]1Cc1ccccc1
Structure:
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