Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM9321
Substrate
n/a
Meas. Tech.
ChEMBL_157551 (CHEMBL763303)
Ki
0.33±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:
BDBM9321
Synonyms:
(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[(3-hydroxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-1,3-diazepan-2-one | CHEMBL412810 | Cyclic Urea 73
Type:
Small organic molecule
Emp. Form.:
C37H36N2O4
Mol. Mass.:
572.6927
SMILES:
O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C(=O)N(Cc2cccc(O)c2)[C@@H]1Cc1ccccc1 |r|
Structure:
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