Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50054175
Substrate
n/a
Meas. Tech.
ChEMBL_160748 (CHEMBL769062)
Ki
0.280000±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:
BDBM50054175
Synonyms:
1N-propyl-3-[4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-(3-propylcarbamoylbenzyl)-(4R,5S,6S,7R)-1,3-diazepan-1-ylmethyl]benzamide | CHEMBL314008
Type:
Small organic molecule
Emp. Form.:
C41H48N4O5
Mol. Mass.:
676.8436
SMILES:
CCCNC(=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=O)NCCC)C2=O)c1
Structure:
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