Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM197
Substrate
n/a
Meas. Tech.
ChEMBL_158768 (CHEMBL772929)
Ki
0.11±n/a nM
Citation
 Martin, SF; Dorsey, GO; Gane, T; Hillier, MC; Kessler, H; Baur, M; Mathä, B; Erickson, JW; Bhat, TN; Munshi, S; Gulnik, SV; Topol, IA Cyclopropane-derived peptidomimetics. Design, synthesis, evaluation, and structure of novel HIV-1 protease inhibitors. J Med Chem 41:1581-97 (1998) [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:
BDBM197
Synonyms:
(2S)-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S)-3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanamido]-1,6-diphenylhexan-2-yl]-3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanamide | A-76889 | CHEMBL43294
Type:
n/a
Emp. Form.:
C44H58N8O6
Mol. Mass.:
794.9813
SMILES:
CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C |r|
Structure:
Search PDB for entries with ligand similarity: