Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHuman immunodeficiency virus type 1 protease
LigandBDBM50041151
Substrate/Competitorn/a
Meas. Tech.ChEMBL_159974
Ki 33±n/a nM
Citation Reddy MRVarney MDKalish VViswanadhan VNAppelt K Calculation of relative differences in the binding free energies of HIV1 protease inhibitors: a thermodynamic cycle perturbation approach. J Med Chem 37:1145-52 (1994) [PubMed]
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:
BDBM50041151
n/a
NameBDBM50041151
Synonyms:CHEMBL15561 | N-((1S,2S)-1-Benzyl-2-hydroxy-4-{[(1H-indol-2-yl)-(3-trifluoromethyl-phenyl)-methyl]-carbamoyl}-butyl)-2-[(quinoline-2-carbonyl)-amino]-succinamic acid
TypeSmall organic molecule
Emp. Form.C42H38F3N5O6
Mol. Mass.765.7762
SMILESO[C@@H](CCC(=O)NC(c1cc2ccccc2[nH]1)c1cccc(c1)C(F)(F)F)[C@H](Cc1ccccc1)NC(=O)CC(NC(=O)c1ccc2ccccc2n1)C(O)=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: