Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50493301
Substrate
n/a
Meas. Tech.
ChEMBL_981456 (CHEMBL2428634)
Ki
0.021000±n/a nM
Citation
 Ghosh, AK; Parham, GL; Martyr, CD; Nyalapatla, PR; Osswald, HL; Agniswamy, J; Wang, YF; Amano, M; Weber, IT; Mitsuya, H Highly potent HIV-1 protease inhibitors with novel tricyclic P2 ligands: design, synthesis, and protein-ligand X-ray studies. J Med Chem 56:6792-802 (2013) [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:
BDBM50493301
Synonyms:
CHEMBL2426458
Type:
Small organic molecule
Emp. Form.:
C31H42N2O9S
Mol. Mass.:
618.738
SMILES:
[H][C@@]12COC[C@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(OC)cc3)[C@]1([H])[C@@]1([H])CCO[C@@]1([H])O2 |r|
Structure:
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