Reaction Details Report a problem with these data
Target
Quinolone resistance protein NorA
Ligand
BDBM50017712
Substrate
n/a
Meas. Tech.
ChEMBL_961221 (CHEMBL2390113)
IC50
9200±n/a nM
Citation
Sabatini, S; Gosetto, F; Iraci, N; Barreca, ML; Massari, S; Sancineto, L; Manfroni, G; Tabarrini, O; Dimovska, M; Kaatz, GW; Cecchetti, V Re-evolution of the 2-phenylquinolines: ligand-based design, synthesis, and biological evaluation of a potent new class of Staphylococcus aureus NorA efflux pump inhibitors to combat antimicrobial resistance. J Med Chem 56:4975-89 (2013) [PubMed] Article
More Info.:
Target
Name:
Quinolone resistance protein NorA
Synonyms:
NORA_STAAU | norA
Type:
PROTEIN
Mol. Mass.:
42273.03
Organism:
Staphylococcus aureus
Description:
ChEMBL_961221
Residue:
388
Sequence:
MNKQIFVLYFNIFLIFLGIGLVIPVLPVYLKDLGLTGSDLGLLVAAFALSQMIISPFGGTLADKLGKKLIICIGLILFSVSEFMFAVGHNFSVLMLSRVIGGMSAGMVMPGVTGLIADISPSHQKAKNFGYMSAIINSGFILGPGIGGFMAEVSHRMPFYFAGALGILAFIMSIVLIHDPKKSTTSGFQKLEPQLLTKINWKVFITPVILTLVLSFGLSAFETLYSLYTADKVNYSPKDISIAITGGGIFGALFQIYFFDKFMKYFSELTFIAWSLLYSVVVLILLVFANGYWSIMLISFVVFIGFDMIRPAITNYFSNIAGERQGFAGGLNSTFTSMGNFIGPLIAGALFDVHIEAPIYMAIGVSLAGVVIVLIEKQHRAKLKEQNM
Inhibitor
Name:
BDBM50017712
Synonyms:
(-)-reserpine | (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester | 3,4,5-trimethoxybenzoyl methyl reserpate | Apoplon | CHEMBL772 | NCGC00091250 | RESERPINE | Reserpin | Serpalan | cid_5770 | methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate
Type:
Small organic molecule
Emp. Form.:
C33H40N2O9
Mol. Mass.:
608.6787
SMILES:
CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1 |r|