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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

NameCHEMBL2181232
Molecular formulaC19H13Cl2N3O2S
IUPAC name[4-(2,5-dichlorophenoxy)pyrimidin-5-yl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
Molecular weight418.292
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.6
SynonymsBDBM50399943
Inchi KeyBTGSXBIRMLXHTN-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H13Cl2N3O2S/c20-12-5-6-14(21)16(9-12)26-18-13(10-22-11-23-18)19(25)24-7-8-27-17-4-2-1-3-15(17)24/h1-6,9-11H,7-8H2
PubChem CID71462788
ChEMBLCHEMBL2181232
IUPHARN/A
BindingDB50399943
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50164.0 nMPMID23148522BindingDB,ChEMBL

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