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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

NameCHEMBL2435922
Molecular formulaC23H19F7N2
IUPAC name1-[3,5-bis(trifluoromethyl)phenyl]-N-[[4-(2-fluorophenyl)pyridin-3-yl]methyl]propan-1-amine
Molecular weight456.408
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP6.1
SynonymsBDBM50441400
Inchi KeyAOOGKLLTJDFQKG-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H19F7N2/c1-2-21(14-9-16(22(25,26)27)11-17(10-14)23(28,29)30)32-13-15-12-31-8-7-18(15)19-5-3-4-6-20(19)24/h3-12,21,32H,2,13H2,1H3
PubChem CID73349425
ChEMBLCHEMBL2435922
IUPHARN/A
BindingDB50441400
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity91.0 %PMID24007860ChEMBL
EC50384.0 nMPMID24007860BindingDB,ChEMBL

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