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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

NameCHEMBL2181235
Molecular formulaC22H19Cl2N3O2
IUPAC name[4-(2,5-dichlorophenoxy)pyridin-3-yl]-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone
Molecular weight428.313
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.9
SynonymsBDBM50399959
Inchi KeyBBXCEBZWMOSRMC-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H19Cl2N3O2/c1-2-26-11-12-27(19-6-4-3-5-18(19)26)22(28)16-14-25-10-9-20(16)29-21-13-15(23)7-8-17(21)24/h3-10,13-14H,2,11-12H2,1H3
PubChem CID71459275
ChEMBLCHEMBL2181235
IUPHARN/A
BindingDB50399959
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC503.1 nMPMID23148522BindingDB,ChEMBL

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