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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

NameCHEMBL598743
Molecular formulaC20H19ClN2O2
IUPAC name3-(2-chlorophenyl)-N-(3,4-dimethylphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
Molecular weight354.834
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.8
SynonymsBDBM50415385
Inchi KeyAQTFXVRLAZTPQM-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19ClN2O2/c1-12-9-10-15(11-13(12)2)23(4)20(24)18-14(3)25-22-19(18)16-7-5-6-8-17(16)21/h5-11H,1-4H3
PubChem CID46232361
ChEMBLCHEMBL598743
IUPHARN/A
BindingDB50415385
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5019.95 nMPMID20097073BindingDB,ChEMBL

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