| Reaction Details |
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 | Report a problem with these data |
| Target | Quinolone resistance protein NorA |
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| Ligand | BDBM50017712 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_961221 (CHEMBL2390113) |
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| IC50 | 9200±n/a nM |
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| 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 Chem56:4975-89 (2013) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Quinolone resistance protein NorA |
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| Name: | Quinolone resistance protein NorA |
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| Synonyms: | NORA_STAAU | norA |
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| Type: | PROTEIN |
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| Mol. Mass.: | 42273.03 |
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| Organism: | Staphylococcus aureus |
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| Description: | ChEMBL_961221 |
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| Residue: | 388 |
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| Sequence: | MNKQIFVLYFNIFLIFLGIGLVIPVLPVYLKDLGLTGSDLGLLVAAFALSQMIISPFGGT
LADKLGKKLIICIGLILFSVSEFMFAVGHNFSVLMLSRVIGGMSAGMVMPGVTGLIADIS
PSHQKAKNFGYMSAIINSGFILGPGIGGFMAEVSHRMPFYFAGALGILAFIMSIVLIHDP
KKSTTSGFQKLEPQLLTKINWKVFITPVILTLVLSFGLSAFETLYSLYTADKVNYSPKDI
SIAITGGGIFGALFQIYFFDKFMKYFSELTFIAWSLLYSVVVLILLVFANGYWSIMLISF
VVFIGFDMIRPAITNYFSNIAGERQGFAGGLNSTFTSMGNFIGPLIAGALFDVHIEAPIY
MAIGVSLAGVVIVLIEKQHRAKLKEQNM
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| BDBM50017712 |
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| n/a |
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| Name | BDBM50017712 |
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| 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 |
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| Type | Small organic molecule |
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| Emp. Form. | C33H40N2O9 |
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| Mol. Mass. | 608.6787 |
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| 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| |
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| Structure | 
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