Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50478839
Substrate
n/a
Meas. Tech.
ChEMBL_524021 (CHEMBL977607)
IC50
117000±n/a nM
Citation
 Kim, HJ; Kim, EJ; Seo, SH; Shin, CG; Jin, C; Lee, YS Vanillic acid glycoside and quinic acid derivatives from Gardeniae Fructus. J Nat Prod 69:600-3 (2006) [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:
BDBM50478839
Synonyms:
Ethyl Chlorogenate
Type:
Small organic molecule
Emp. Form.:
C18H22O9
Mol. Mass.:
382.3619
SMILES:
CCOC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
Structure:
Search PDB for entries with ligand similarity: