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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

NameTAK-875
Molecular formulaC29H32O7S
IUPAC name2-[(3S)-6-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
Molecular weight524.628
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.7
SynonymsFasiglifam
1000413-72-8
TAK875
TAK 875
UNII-GLP1W4JXAH
[ Show all ]
Inchi KeyBZCALJIHZVNMGJ-HSZRJFAPSA-N
Inchi IDInChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1
PubChem CID24857286
ChEMBLCHEMBL1829174
IUPHAR6484
BindingDB50386790
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Activity65.32 %PMID26482570, PMID26945112, PMID26420383, PMID27020683ChEMBL
Activity76.01 %PMID26945112, PMID27020683, PMID26420383ChEMBL
EC501.9 nMPMID27994752BindingDB,ChEMBL
EC509.3 nMPMID27074625BindingDB
EC509.333 nMPMID27074625ChEMBL
EC5014.0 nMPMID24900210BindingDB
EC5014.13 nMPMID21854074BindingDB,ChEMBL
EC5016.0 nMPMID22490067BindingDB,ChEMBL
EC5021.88 nMPMID22724451BindingDB
EC5025.7 nMPMID22724451BindingDB
EC5026.0 nMPMID22724451BindingDB
EC5027.5 nMPMID27054485ChEMBL
EC5028.0 nMPMID27054485BindingDB
EC5029.6 nMPMID26482570, PMID27020683, PMID26420383ChEMBL
EC5030.0 nMPMID26420383, PMID26482570, PMID27020683BindingDB
EC5038.6 nMPMID25481394ChEMBL
EC5039.0 nMPMID25481394BindingDB
EC5042.0 nMPMID23582779BindingDB
EC5057.54 nMPMID27074625ChEMBL
EC5058.0 nMPMID27074625BindingDB
EC5079.4328 nMPMID21752941, PMID25043059, PMID25787200, PMID24900210IUPHAR
Emax89.0 %PMID27074625ChEMBL
Emax100.0 %PMID27054485ChEMBL
Emax108.0 %PMID27074625ChEMBL
Ki28.84 nMPMID27074625ChEMBL
Ki29.0 nMPMID27074625BindingDB
Ki38.0 nMPMID22490067, PMID24900210BindingDB
Ratio6.89 -PMID25481394ChEMBL

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