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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

NameCHEMBL3132970
Molecular formulaC20H18F3N3O3
IUPAC name5-ethyl-3-(3-methoxyphenyl)-N-methyl-N-[6-(trifluoromethyl)pyridin-3-yl]-1,2-oxazole-4-carboxamide
Molecular weight405.377
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP3.7
SynonymsN/A
Inchi KeyDSAASYWIPKIPEP-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H18F3N3O3/c1-4-15-17(18(25-29-15)12-6-5-7-14(10-12)28-3)19(27)26(2)13-8-9-16(24-11-13)20(21,22)23/h5-11H,4H2,1-3H3
PubChem CID76336516
ChEMBLCHEMBL3132970
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5011.0 nMMedChemComm, (2013) 4:1:205ChEMBL

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