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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

NameCHEMBL1777861
Molecular formulaC20H15F5O4
IUPAC name3-[4-[2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy]phenyl]hex-4-ynoic acid
Molecular weight414.328
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP5.6
SynonymsBDBM50344068
rac-3-(4-(2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy)phenyl)hex-4-ynoic acid
Inchi KeyXTXMTBWPTJUGRV-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H15F5O4/c1-2-3-13(10-18(26)27)12-4-7-15(8-5-12)28-16-9-6-14(20(23,24)25)11-17(16)29-19(21)22/h4-9,11,13,19H,10H2,1H3,(H,26,27)
PubChem CID53248846
ChEMBLCHEMBL1777861
IUPHARN/A
BindingDB50344068
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5071.0 nMPMID21514824BindingDB,ChEMBL
EC50436.0 nMPMID21514824BindingDB,ChEMBL
EC50455.0 nMPMID21514824BindingDB,ChEMBL
IC5012.0 nMPMID21514824BindingDB,ChEMBL

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