Reaction Details Report a problem with these data
Target
Quinolone resistance protein NorA
Ligand
BDBM50211229
Substrate
n/a
Meas. Tech.
ChEMBL_1636257 (CHEMBL3879155)
IC50
4930±n/a nM
Citation
 Buonerba, F; Lepri, S; Goracci, L; Schindler, BD; Seo, SM; Kaatz, GW; Cruciani, G Improved Potency of Indole-Based NorA Efflux Pump Inhibitors: From Serendipity toward Rational Design and Development. J Med Chem 60:517-523 (2017) [PubMed]  Article 
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:
BDBM50211229
Synonyms:
CHEMBL3955315
Type:
Small organic molecule
Emp. Form.:
C37H38N6O6
Mol. Mass.:
662.7342
SMILES:
CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)CNCc3ccc(Oc4nnnn4-c4ccccc4)c(OC)c3)cc12
Structure:
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