Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50054156
Substrate
n/a
Meas. Tech.
ChEMBL_160748 (CHEMBL769062)
Ki
0.01±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:
BDBM50054156
Synonyms:
(4r,5r,6,7)-3,3-[[Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis-methylene)]bis[N-(5-methyl-2-pyridinyl)benzamide] | 2-{3-[4,7-dibenzyl-5,6-dihydroxy-3-[3-(5-methyl-2-pyridylcarbamoyl)benzyl]-2-oxo-(4R,5S,6S,7R)-1,3-diazepan-1-ylmethyl]phenylcarboxamido}-5-methylpyridine | CHEMBL85653
Type:
Small organic molecule
Emp. Form.:
C47H46N6O5
Mol. Mass.:
774.9053
SMILES:
Cc1ccc(NC(=O)c2cccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4cccc(c4)C(=O)Nc4ccc(C)cn4)C3=O)c2)nc1
Structure:
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