Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50479396
Substrate
n/a
Meas. Tech.
ChEMBL_559817 (CHEMBL1020688)
IC50
5.0±n/a nM
Citation
 Ferro, S; De Luca, L; Barreca, ML; Iraci, N; De Grazia, S; Christ, F; Witvrouw, M; Debyser, Z; Chimirri, A Docking studies on a new human immunodeficiency virus integrase-Mg-DNA complex: phenyl ring exploration and synthesis of 1H-benzylindole derivatives through fluorine substitutions. J Med Chem 52:569-73 (2009) [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:
BDBM50479396
Synonyms:
CHEMBL521567
Type:
Small organic molecule
Emp. Form.:
C22H19F2NO5
Mol. Mass.:
415.3868
SMILES:
CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2cccc(F)c2F)c2cccc(OC)c12
Structure:
Search PDB for entries with ligand similarity: