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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

NameCHEMBL2062553
Molecular formulaC26H43NaO5
IUPAC namesodium;(4R)-4-[(3R,5S,6R,7R,8R,9S,10S,13S,14S,16R,17R)-6-ethyl-3,7,16-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Molecular weight458.615
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogPNone
Synonyms6Alpha-Ethyl-Avicholic Acid Sodium Salt
Inchi KeyFJWJKQXCFIAJTO-YLUKLHMZSA-M
Inchi IDInChI=1S/C26H44O5.Na/c1-5-16-18-12-15(27)8-10-25(18,3)17-9-11-26(4)19(22(17)24(16)31)13-20(28)23(26)14(2)6-7-21(29)30;/h14-20,22-24,27-28,31H,5-13H2,1-4H3,(H,29,30);/q;+1/p-1/t14-,15-,16-,17+,18+,19+,20-,22-,23+,24-,25-,26+;/m1./s1
PubChem CID70686469
ChEMBLCHEMBL2062553
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
EC5087000.0 nMPMID24900463ChEMBL
Efficacy198.0 %PMID24900463ChEMBL

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