Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM100
Substrate
n/a
Meas. Tech.
ChEMBL_157551 (CHEMBL763303)
Ki
110±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:
BDBM100
Synonyms:
(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(6-methylheptyl)-1,3-diazepan-2-one | CHEMBL420042 | DMPC Cyclic Urea 80
Type:
n/a
Emp. Form.:
C35H54N2O3
Mol. Mass.:
550.8149
SMILES:
CC(C)CCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCC(C)C)C1=O
Structure:
Search PDB for entries with ligand similarity: