Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50054163
Substrate
n/a
Meas. Tech.
ChEMBL_160750 (CHEMBL769064)
Ki
2.4±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:
BDBM50054163
Synonyms:
1N-(tert-butyl)-3-[4,7-dibenzyl-3-[3-(tert-butylcarbamoyl)benzyl]-5,6-dihydroxy-2-oxo-(4R,5S,6S,7R)-1,3-diazepan-1-ylmethyl]benzamide | CHEMBL313516
Type:
Small organic molecule
Emp. Form.:
C43H52N4O5
Mol. Mass.:
704.8968
SMILES:
CC(C)(C)NC(=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=O)NC(C)(C)C)C2=O)c1
Structure:
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