Reaction Details Report a problem with these data
Target
Quinolone resistance protein NorA
Ligand
BDBM50211231
Substrate
n/a
Meas. Tech.
ChEMBL_1636257 (CHEMBL3879155)
IC50
19900±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:
BDBM50211231
Synonyms:
CHEMBL3945575
Type:
Small organic molecule
Emp. Form.:
C44H49N3O8
Mol. Mass.:
747.8752
SMILES:
CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)CNCC(O)COc3ccc4n(Cc5ccccc5)c(C)c(C(=O)OCC)c4c3)cc12
Structure:
Search PDB for entries with ligand similarity: