new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHuman immunodeficiency virus type 1 protease
LigandBDBM50288941
Substrate/Competitorn/a
Meas. Tech.ChEBML_160741
Ki 0.151000±n/a nM
Citation Park CChoi HSon YCLee CSChoy NKoh JSLee TGKwon YDKim SCYoon 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
More Info.:Get all data from this article,  Assay Method
 
Human immunodeficiency virus type 1 protease
Name:Human immunodeficiency virus type 1 protease
Synonyms:Pol polyprotein
Type:Enzyme Subunit
Mol. Mass.:10781.16
Organism:Human immunodeficiency virus type 1
Description:n/a
Residue:99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50288941
n/a
NameBDBM50288941
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
TypeSmall organic molecule
Emp. Form.C41H57N5O7S
Mol. Mass.763.986
SMILESCC(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
Search PDB for entries with ligand similarity:Similarity to this molecule at least: