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GPCR

NameFree fatty acid receptor 1
SpeciesHomo sapiens (Human)
GeneFFAR1
SynonymFFA1R
G protein-coupled receptor 40
G-protein coupled receptor 40
GPR40
FFA1 receptor
DiseaseType 2 diabetes
Non-insulin dependent diabetes
Diabetes
Length300
Amino acid sequenceMDLPPQLSFGLYVAAFALGFPLNVLAIRGATAHARLRLTPSLVYALNLGCSDLLLTVSLPLKAVEALASGAWPLPASLCPVFAVAHFFPLYAGGGFLAALSAGRYLGAAFPLGYQAFRRPCYSWGVCAAIWALVLCHLGLVFGLEAPGGWLDHSNTSLGINTPVNGSPVCLEAWDPASAGPARFSLSLLLFFLPLAITAFCYVGCLRALARSGLTHRRKLRAAWVAGGALLTLLLCVGPYNASNVASFLYPNLGGSWRKLGLITGAWSVVLNPLVTGYLGRGPGLKTVCAARTQGGKSQK
UniProtO14842
Protein Data Bank5tzy, 5tzr
GPCR-HGmod modelO14842
3D structure modelThis structure is from PDB ID 5tzy.
BioLiPBL0380462, BL0380463, BL0380464
Therapeutic Target DatabaseT25608
ChEMBLCHEMBL4422
IUPHAR225
DrugBankBE0000688

Ligand

NameCHEMBL1777855
Molecular formulaC20H14F6O4
IUPAC name3-[4-[2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]hex-4-ynoic acid
Molecular weight432.318
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP5.7
SynonymsBDBM50344080
rac-3-(4-(2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy)-2-fluorophenyl)hex-4-ynoic acid
Inchi KeyKAYILIDZNSBIOB-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H14F6O4/c1-2-3-11(8-18(27)28)14-6-5-13(10-15(14)21)29-16-7-4-12(20(24,25)26)9-17(16)30-19(22)23/h4-7,9-11,19H,8H2,1H3,(H,27,28)
PubChem CID53248847
ChEMBLCHEMBL1777855
IUPHARN/A
BindingDB50344080
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50113.0 nMPMID21514824BindingDB,ChEMBL
EC50306.0 nMPMID21514824BindingDB,ChEMBL
EC50349.0 nMPMID21514824BindingDB,ChEMBL
IC5049.0 nMPMID21514824BindingDB,ChEMBL

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