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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

NameCHEMBL2435915
Molecular formulaC20H12ClF7N2O2S
IUPAC nameN-[[2-chloro-4-(2-fluorophenyl)pyridin-3-yl]methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
Molecular weight512.827
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP5.8
SynonymsBDBM50441394
Inchi KeyFEUNVYLEQIVEAF-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H12ClF7N2O2S/c21-18-16(14(5-6-29-18)15-3-1-2-4-17(15)22)10-30-33(31,32)13-8-11(19(23,24)25)7-12(9-13)20(26,27)28/h1-9,30H,10H2
PubChem CID73353938
ChEMBLCHEMBL2435915
IUPHARN/A
BindingDB50441394
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Activity87.0 %PMID24007860ChEMBL
EC50406.0 nMPMID24007860BindingDB,ChEMBL

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