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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

NameTUG-770
Molecular formulaC19H14FNO2
IUPAC name3-[4-[2-[2-(cyanomethyl)phenyl]ethynyl]-2-fluorophenyl]propanoic acid
Molecular weight307.324
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.5
SynonymsAB0095804
D0S0QY
SCHEMBL12983515
3-(4-{2-[2-(cyanomethyl)phenyl]ethynyl}-2-fluorophenyl)propanoic acid
BCP07966
[ Show all ]
Inchi KeyKIZUBVPJNPVIIN-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H14FNO2/c20-18-13-14(6-8-17(18)9-10-19(22)23)5-7-15-3-1-2-4-16(15)11-12-21/h1-4,6,8,13H,9-11H2,(H,22,23)
PubChem CID66553168
ChEMBLCHEMBL2386353
IUPHAR6483
BindingDB50434295
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC505.888 nMPMID27074625ChEMBL
EC505.9 nMPMID27074625BindingDB
EC506.0 nMPMID23687558BindingDB
EC506.0 nMPMID23687558ChEMBL
EC506.166 nMPMID23687558ChEMBL
EC506.2 nMPMID23687558BindingDB
EC506.30957 nMPMID23687558IUPHAR
EC5018.62 nMPMID27074625ChEMBL
EC5019.0 nMPMID27074625BindingDB
EC5022.91 nMPMID23687558ChEMBL
EC5023.0 nMPMID23687558BindingDB
EC5026.0 nMPMID23687558BindingDB
EC5026.3 nMPMID23687558ChEMBL
Efficacy102.0 %PMID23687558ChEMBL
Ki85.0 nMPMID27074625BindingDB
Ki85.11 nMPMID27074625ChEMBL
Ratio3.0 -PMID27074625ChEMBL
Ratio15.0 -PMID27074625ChEMBL

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