Reaction Details  Report a problem with these data
Target
Integrase
Ligand
BDBM50123471
Substrate
n/a
Meas. Tech.
ChEMBL_90576 (CHEMBL701160)
IC50
50±n/a nM
Citation
 Zhuang, L; Wai, JS; Embrey, MW; Fisher, TE; Egbertson, MS; Payne, LS; Guare, JP; Vacca, JP; Hazuda, DJ; Felock, PJ; Wolfe, AL; Stillmock, KA; Witmer, MV; Moyer, G; Schleif, WA; Gabryelski, LJ; Leonard, YM; Lynch, JJ; Michelson, SR; Young, SD Design and synthesis of 8-hydroxy-[1,6]naphthyridines as novel inhibitors of HIV-1 integrase in vitro and in infected cells. J Med Chem 46:453-6 (2003) [PubMed]  Article
Target
Name:
Integrase
Synonyms:
Human immunodeficiency virus type 1 integrase
Type:
PROTEIN
Mol. Mass.:
32231.48
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_90865
Residue:
288
Sequence:
FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPLWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50123471
Synonyms:
(4-Benzyl-pyridin-2-yl)-(8-hydroxy-quinolin-7-yl)-methanone | (4-benzylpyridin-2-yl)(8-hydroxyquinolin-7-yl)methanone | CHEMBL142072
Type:
Small organic molecule
Emp. Form.:
C22H16N2O2
Mol. Mass.:
340.3746
SMILES:
Oc1c(ccc2cccnc12)C(=O)c1cc(Cc2ccccc2)ccn1
Structure:
Search PDB for entries with ligand similarity: