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Target
Transcriptional activator protein LuxR
Ligand
BDBM50017376
Substrate
n/a
Meas. Tech.
ChEMBL_643998 (CHEMBL1211897)
IC50
92000±n/a nM
Citation
 Soulère, L; Sabbah, M; Fontaine, F; Queneau, Y; Doutheau, A LuxR-dependent quorum sensing: computer aided discovery of new inhibitors structurally unrelated to N-acylhomoserine lactones. Bioorg Med Chem Lett 20:4355-8 (2010) [PubMed]  Article 
Target
Name:
Transcriptional activator protein LuxR
Synonyms:
LUXR_ALIFS | luxR
Type:
PROTEIN
Mol. Mass.:
28563.86
Organism:
Vibrio fischeri
Description:
ChEMBL_831639
Residue:
250
Sequence:
MKNINADDTYRIINKIKACRSNNDINQCLSDMTKMVHCEYYLLAIIYPHSMVKSDISILDNYPKKWRQYYDDANLIKYDPIVDYSNSNHSPINWNIFENNAVNKKSPNVIKEAKTSGLITGFSFPIHTANNGFGMLSFAHSEKDNYIDSLFLHACMNIPLIVPSLVDNYRKINIANNKSNNDLTKREKECLAWACEGKSSWDISKILGCSERTVTFHLTNAQMKLNTTNRCQSISKAILTGAIDCPYFKN
  
Inhibitor
Name:
BDBM50017376
Synonyms:
(+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-ol | 1-(4-tert-Butyl-phenyl)-4-[4-(hydroxy-diphenyl-methyl)-piperidin-1-yl]-butan-1-ol | 1-(4-tert-Butyl-phenyl)-4-[4-(hydroxy-diphenyl-methyl)-piperidin-1-yl]-butan-1-ol(Terfenadine) | 1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-ol | CHEMBL17157 | TERFENADINE | teraenadine
Type:
Small organic molecule
Emp. Form.:
C32H41NO2
Mol. Mass.:
471.6734
SMILES:
CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Structure:
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