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Ligand

NameCHEMBL1257490
Molecular formulaC22H19BrN2S
IUPAC name2-(4-bromophenyl)-N-[(2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine
Molecular weight423.372
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50327537
2-(4-bromophenyl)-N-((2-(thiophen-3-yl)quinolin-3-yl)methyl)ethanamine
Inchi KeyMZAWFPXCLQLZDG-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H19BrN2S/c23-20-7-5-16(6-8-20)9-11-24-14-19-13-17-3-1-2-4-21(17)25-22(19)18-10-12-26-15-18/h1-8,10,12-13,15,24H,9,11,14H2
PubChem CID52941381
ChEMBLCHEMBL1257490
IUPHARN/A
BindingDB50327537
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
217680G-protein coupled bile acid receptor 1Q80SS6Gpbar1Mus musculus (Mouse)329
217681G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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