Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-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 TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

GPCR

NameFree fatty acid receptor 1
SpeciesRattus norvegicus (Rat)
GeneFfar1
SynonymFFA1 receptor
FFA1R
G protein-coupled receptor 40
G-protein coupled receptor 40
GPR40
DiseaseN/A for non-human GPCRs
Length300
Amino acid sequenceMDLPPQLSFALYVSAFALGFPLNLLAIRGAVSHAKLRLTPSLVYTLHLACSDLLLAITLPLKAVEALASGVWPLPLPFCPVFALAHFAPLYAGGGFLAALSAGRYLGAAFPFGYQAIRRPCYSWGVCVAIWALVLCHLGLALGLEAPRGWVDNTTSSLGINIPVNGSPVCLEAWDPDSARPARLSFSILLFFLPLVITAFCYVGCLRALVHSGLSHKRKLRAAWVAGGALLTLLLCLGPYNASNVASFINPDLEGSWRKLGLITGAWSVVLNPLVTGYLGTGPGQGTICVTRTPRGTIQK
UniProtQ8K3T4
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1795180
IUPHARN/A
DrugBankN/A

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
Synonyms[(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
BDBM50386782
SCHEMBL205828
[(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
AQQQCXSXMJJHOU-HSZRJFAPSA-N
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
Ki170.0 nMPMID22490067BindingDB,ChEMBL
Ki210.0 nMPMID22490067BindingDB

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417