Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50479402
Substrate
n/a
Meas. Tech.
ChEMBL_559817 (CHEMBL1020688)
IC50
10.0±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:
BDBM50479402
Synonyms:
CHEMBL495952
Type:
Small organic molecule
Emp. Form.:
C20H15F2NO5
Mol. Mass.:
387.3336
SMILES:
COc1cccc2n(Cc3cccc(F)c3F)cc(C(=O)\C=C(/O)C(O)=O)c12
Structure:
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