Reaction Details Report a problem with these data
Target
HIV-1 protease
Ligand
BDBM12889
Substrate
n/a
Meas. Tech.
ChEMBL_517306 (CHEMBL1031359)
Ki
0.032000±n/a nM
Citation
 Jorissen, RN; Reddy, GS; Ali, A; Altman, MD; Chellappan, S; Anjum, SG; Tidor, B; Schiffer, CA; Rana, TM; Gilson, MK Additivity in the analysis and design of HIV protease inhibitors. J Med Chem 52:737-54 (2009) [PubMed]  Article 
Target
Name:
HIV-1 protease
Synonyms:
HIV-1 | HIV-1 protease | protease
Type:
PROTEIN
Mol. Mass.:
10795.19
Organism:
Human immunodeficiency virus
Description:
ChEMBL_118439
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLIGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM12889
Synonyms:
(5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](isobutyl)amino]-1-benzyl-2-hydroxypropyl]-2-oxooxazolidine-5-carboxamide | (5S)-N-[(2S,3R)-4-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]-3-(3-acetylphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide | N-Aryl-oxazolidinone-5-carboxamide Analogue 25e
Type:
Small organic molecule
Emp. Form.:
C32H38N4O7S
Mol. Mass.:
622.732
SMILES:
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(C)=O)S(=O)(=O)c1ccc(N)cc1 |r|
Structure:
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