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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

NameCHEMBL3290703
Molecular formulaC26H22N4O2
IUPAC name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-quinolin-6-yloxypyridin-3-yl)methanone
Molecular weight422.488
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.1
SynonymsBDBM50019506
Inchi KeyAXZYYCXRZMBVEK-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H22N4O2/c31-26(30-15-14-29(19-7-8-19)23-5-1-2-6-24(23)30)21-17-27-13-11-25(21)32-20-9-10-22-18(16-20)4-3-12-28-22/h1-6,9-13,16-17,19H,7-8,14-15H2
PubChem CID71626555
ChEMBLCHEMBL3290703
IUPHARN/A
BindingDB50019506
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5064.0 nMPMID24863981BindingDB,ChEMBL

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