Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50050768
Substrate
n/a
Meas. Tech.
ChEMBL_1459243 (CHEMBL3367269)
IC50
400000±n/a nM
Citation
 Singh, M; Kaur, M; Silakari, O Flavones: an important scaffold for medicinal chemistry. Eur J Med Chem 84:206-39 (2014) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
pol
Type:
PROTEIN
Mol. Mass.:
32203.43
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_106649
Residue:
288
Sequence:
FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50050768
Synonyms:
CHEMBL3318022
Type:
Small organic molecule
Emp. Form.:
C21H20O14S
Mol. Mass.:
528.44
SMILES:
OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](OS(O)(=O)=O)[C@@H](O)[C@@H]1O |r|
Structure:
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