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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

NameCHEMBL2164242
Molecular formulaC27H30FNO5S
IUPAC name3-[2-fluoro-4-[[3-[2-methyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methylamino]phenyl]propanoic acid
Molecular weight499.597
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.0
Synonyms3-{2-fluoro-4-[({3-[4-(3-methanesulfonylpropoxy)-2-methylphenyl]phenyl}methyl)amino]phenyl}propanoic acid
TUG-905
agonist 13 [PMID: 22724451]
BDBM50395072
GTPL9149
Inchi KeyODIHLEYTPVYAPY-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H30FNO5S/c1-19-15-24(34-13-4-14-35(2,32)33)10-11-25(19)22-6-3-5-20(16-22)18-29-23-9-7-21(26(28)17-23)8-12-27(30)31/h3,5-7,9-11,15-17,29H,4,8,12-14,18H2,1-2H3,(H,30,31)
PubChem CID60195125
ChEMBLCHEMBL2164242
IUPHAR9149
BindingDB50395072
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC509.0 nMPMID22724451IUPHAR
EC509.12 nMPMID22724451BindingDB,ChEMBL
EC5014.0 nMPMID27074625BindingDB
EC5014.13 nMPMID27074625ChEMBL
EC5045.71 nMPMID22724451BindingDB,ChEMBL
EC501949.84 nMPMID22724451BindingDB,ChEMBL
Efficacy102.0 %PMID22724451ChEMBL
Emax106.0 %PMID27074625ChEMBL
Ki4.365 nMPMID27074625ChEMBL
Ki4.4 nMPMID27074625BindingDB

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