Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM160
Substrate
n/a
Meas. Tech.
ChEMBL_157575 (CHEMBL763326)
Ki
0.014±n/a nM
Citation
 Jadhav, PK; Ala, P; Woerner, FJ; Chang, CH; Garber, SS; Anton, ED; Bacheler, LT Cyclic urea amides: HIV-1 protease inhibitors with low nanomolar potency against both wild type and protease inhibitor resistant mutants of HIV. J Med Chem 40:181-91 (1997) [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:
BDBM160
Synonyms:
3-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-{[3-(1H-imidazol-2-ylcarbamoyl)phenyl]methyl}-2-oxo-1,3-diazepan-1-yl]methyl}-N-(1H-imidazol-2-yl)benzamide | CHEMBL291677 | Cyclic Urea
Type:
n/a
Emp. Form.:
C41H40N8O5
Mol. Mass.:
724.8069
SMILES:
O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2ncc[nH]2)C(=O)N(Cc2cccc(c2)C(=O)Nc2ncc[nH]2)[C@@H]1Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity: