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GPCR

NameG-protein coupled bile acid receptor 1
SpeciesHomo sapiens (Human)
GeneGPBAR1
SynonymG-protein coupled receptor GPCR19
TGR5
BG37
G protein-coupled bile acid receptor 1
membrane-type receptor for bile acids
[ Show all ]
DiseaseType 2 diabetes
Metabolic disorders
Length330
Amino acid sequenceMTPNSTGEVPSPIPKGALGLSLALASLIITANLLLALGIAWDRRLRSPPAGCFFLSLLLAGLLTGLALPTLPGLWNQSRRGYWSCLLVYLAPNFSFLSLLANLLLVHGERYMAVLRPLQPPGSIRLALLLTWAGPLLFASLPALGWNHWTPGANCSSQAIFPAPYLYLEVYGLLLPAVGAAAFLSVRVLATAHRQLQDICRLERAVCRDEPSALARALTWRQARAQAGAMLLFGLCWGPYVATLLLSVLAYEQRPPLGPGTLLSLLSLGSASAAAVPVAMGLGDQRYTAPWRAAAQRCLQGLWGRASRDSPGPSIAYHPSSQSSVDLDLN
UniProtQ8TDU6
Protein Data BankN/A
GPCR-HGmod modelQ8TDU6
3D structure modelThis predicted structure model is from GPCR-EXP Q8TDU6.
BioLiPN/A
Therapeutic Target DatabaseT86273
ChEMBLCHEMBL5409
IUPHAR37
DrugBankBE0005788

Ligand

NameCHEMBL1258877
Molecular formulaC24H22BrN3O2
IUPAC name2-(4-bromophenyl)-N-[(7-methoxy-2-pyridin-3-yloxyquinolin-3-yl)methyl]ethanamine
Molecular weight464.363
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.0
SynonymsSCHEMBL4878378
2-(4-bromophenyl)-n-((7-methoxy-2-(pyridin-3-yloxy)quinolin-3-yl)methyl)ethanamine
BDBM50327529
Inchi KeyFDAIKHFUTBLWCS-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22BrN3O2/c1-29-21-9-6-18-13-19(15-27-12-10-17-4-7-20(25)8-5-17)24(28-23(18)14-21)30-22-3-2-11-26-16-22/h2-9,11,13-14,16,27H,10,12,15H2,1H3
PubChem CID52943980
ChEMBLCHEMBL1258877
IUPHARN/A
BindingDB50327529
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID20801037BindingDB,ChEMBL

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