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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

NameCHEMBL602892
Molecular formulaC19H17ClN2O2
IUPAC nameN-(4-chlorophenyl)-N,5-dimethyl-3-(3-methylphenyl)-1,2-oxazole-4-carboxamide
Molecular weight340.807
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.4
SynonymsBDBM50415404
Inchi KeyCMZOSTDYAYSSQZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H17ClN2O2/c1-12-5-4-6-14(11-12)18-17(13(2)24-21-18)19(23)22(3)16-9-7-15(20)8-10-16/h4-11H,1-3H3
PubChem CID46232568
ChEMBLCHEMBL602892
IUPHARN/A
BindingDB50415404
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5079.43 nMPMID20097073BindingDB,ChEMBL

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