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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

NameCHEMBL2315528
Molecular formulaC19H15NO2
IUPAC name3-[4-[2-[2-(cyanomethyl)phenyl]ethynyl]phenyl]propanoic acid
Molecular weight289.334
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50425662
SCHEMBL1551054
3-(4-((2-(cyanomethyl)phenyl)ethynyl)phenyl)propanoic acid
Inchi KeyAMKACOPNIVQTHQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H15NO2/c20-14-13-18-4-2-1-3-17(18)11-9-15-5-7-16(8-6-15)10-12-19(21)22/h1-8H,10,12-13H2,(H,21,22)
PubChem CID67072752
ChEMBLCHEMBL2315528
IUPHARN/A
BindingDB50425662
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity103.0 %PMID23294321ChEMBL
EC5019.95 nMPMID23687558, PMID23294321ChEMBL
EC5020.0 nMPMID23687558, PMID23294321BindingDB,ChEMBL
EC5061.66 nMPMID27074625ChEMBL
EC5062.0 nMPMID27074625BindingDB
EC5069.0 nMPMID23687558BindingDB
EC5069.18 nMPMID23687558ChEMBL
EC50239.88 nMPMID23687558ChEMBL
EC50240.0 nMPMID23687558BindingDB
Efficacy103.0 %PMID23687558ChEMBL
Emax95.0 %PMID27074625ChEMBL
Ki204.0 nMPMID27074625BindingDB
Ki204.17 nMPMID27074625ChEMBL

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