Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50288941
Substrate
n/a
Meas. Tech.
ChEBML_160741
Ki
0.151000±n/a nM
Citation
 Park, C; Choi, H; Son, YC; Lee, CS; Choy, N; Koh, JS; Lee, TG; Kwon, YD; Kim, SC; Yoon, H β-Methanesulfonyl-L-valine as a novel, unnatural amino acid surrogate for P2 in the design of HIV protease inhibitors. Bioorg Med Chem Lett 6:585-588 (1996)    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:
BDBM50288941
Synonyms:
(3S,4aS,8aS)-2-((2R,3S)-2-Hydroxy-3-{(R)-2-[2-(5-hydroxy-isoquinolin-1-yl)-acetylamino]-3-methanesulfonyl-3-methyl-butyrylamino}-4-phenyl-butyl)-decahydro-isoquinoline-3-carboxylic acid tert-butylamide | CHEMBL350243
Type:
Small organic molecule
Emp. Form.:
C41H57N5O7S
Mol. Mass.:
763.986
SMILES:
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1nccc2c(O)cccc12)C(C)(C)S(C)(=O)=O
Structure:
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