Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50476647
Substrate
n/a
Meas. Tech.
ChEMBL_445720 (CHEMBL896011)
Ki
0.270000±n/a nM
Citation
 Wang, YF; Tie, Y; Boross, PI; Tozser, J; Ghosh, AK; Harrison, RW; Weber, IT Potent new antiviral compound shows similar inhibition and structural interactions with drug resistant mutants and wild type HIV-1 protease. J Med Chem 50:4509-15 (2007) [PubMed]  Article 
Target
Name:
Protease
Synonyms:
n/a
Type:
Enzyme
Mol. Mass.:
10904.79
Organism:
Human immunodeficiency virus 1 (HIV-1)
Description:
Q9YQ12
Residue:
99
Sequence:
PQITLWQRPFVTIKIEGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQIVIEICGKKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM50476647
Synonyms:
CHEMBL178593 | GRL-98065
Type:
Small organic molecule
Emp. Form.:
C28H36N2O9S
Mol. Mass.:
576.658
SMILES:
[H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2OCOc2c1 |r|
Structure:
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