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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

NameCHEMBL604520
Molecular formulaC18H13Cl3N2O2
IUPAC name3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
Molecular weight395.664
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.3
SynonymsBDBM50415383
Inchi KeyCEMICTZFVBFSND-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H13Cl3N2O2/c1-10-16(17(22-25-10)12-5-3-4-6-13(12)20)18(24)23(2)15-8-7-11(19)9-14(15)21/h3-9H,1-2H3
PubChem CID46232359
ChEMBLCHEMBL604520
IUPHARN/A
BindingDB50415383
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC502511.89 nMPMID20097073BindingDB,ChEMBL

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