Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50073098
Substrate
n/a
Meas. Tech.
ChEMBL_157551 (CHEMBL763303)
Ki
0.053±n/a nM
Citation
 Debnath, AK Three-dimensional quantitative structure-activity relationship study on cyclic urea derivatives as HIV-1 protease inhibitors: application of comparative molecular field analysis. J Med Chem 42:249-59 (1999) [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:
BDBM50073098
Synonyms:
3-[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-3-(3-methoxy-phenyl)-2-oxo-[1,3]diazepan-1-ylmethyl]-N-(6-methyl-pyridin-2-yl)-benzamide | CHEMBL316375
Type:
Small organic molecule
Emp. Form.:
C40H40N4O5
Mol. Mass.:
656.7694
SMILES:
COc1cccc(c1)N1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2cccc(C)n2)C1=O
Structure:
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