Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

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

NameCHEMBL2047155
Molecular formulaC30H32O7S
IUPAC name2-[(3S)-6-[[3-[4-(1,1-dioxothian-4-yl)oxy-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
Molecular weight536.639
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.9
SynonymsSCHEMBL205828
AQQQCXSXMJJHOU-HSZRJFAPSA-N
BDBM50386782
[(3S) -6-({4'-[(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)oxy]-2',6'-dimethylbiphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid
[(3S)-6-({4'-[(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)oxy]-2',6'-dimethylbiphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid
Inchi KeyAQQQCXSXMJJHOU-HSZRJFAPSA-N
Inchi IDInChI=1S/C30H32O7S/c1-19-12-26(37-24-8-10-38(33,34)11-9-24)13-20(2)30(19)22-5-3-4-21(14-22)17-35-25-6-7-27-23(15-29(31)32)18-36-28(27)16-25/h3-7,12-14,16,23-24H,8-11,15,17-18H2,1-2H3,(H,31,32)/t23-/m1/s1
PubChem CID57414405
ChEMBLCHEMBL2047155
IUPHARN/A
BindingDB50386782
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5022.0 nMPMID22490067BindingDB,ChEMBL
EC5039.0 nMPMID22490067BindingDB
Efficacy103.0 %PMID22490067ChEMBL
Ki36.0 nMPMID22490067BindingDB,ChEMBL
Ki83.0 nMPMID22490067BindingDB

yangzhanglabumich.edu | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218