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 2
SpeciesHomo sapiens (Human)
GeneFFAR2
SynonymFFA2R
G protein-coupled receptor 43
G-protein coupled receptor 43
GPCR3
GPR43
[ Show all ]
DiseaseAbortion
Diabetes
Length330
Amino acid sequenceMLPDWKSSLILMAYIIIFLTGLPANLLALRAFVGRIRQPQPAPVHILLLSLTLADLLLLLLLPFKIIEAASNFRWYLPKVVCALTSFGFYSSIYCSTWLLAGISIERYLGVAFPVQYKLSRRPLYGVIAALVAWVMSFGHCTIVIIVQYLNTTEQVRSGNEITCYENFTDNQLDVVLPVRLELCLVLFFIPMAVTIFCYWRFVWIMLSQPLVGAQRRRRAVGLAVVTLLNFLVCFGPYNVSHLVGYHQRKSPWWRSIAVVFSSLNASLDPLLFYFSSSVVRRAFGRGLQVLRNQGSSLLGRRGKDTAEGTNEDRGVGQGEGMPSSDFTTE
UniProtO15552
Protein Data BankN/A
GPCR-HGmod modelO15552
3D structure modelThis predicted structure model is from GPCR-EXP O15552.
BioLiPN/A
Therapeutic Target DatabaseT28213
ChEMBLCHEMBL5493
IUPHAR226
DrugBankN/A

Ligand

NameCHEMBL594597
Molecular formulaC14H15ClN2O2S
IUPAC name(2S)-2-(4-chlorophenyl)-4-methoxy-N-(1,3-thiazol-2-yl)butanamide
Molecular weight310.796
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM50305925
(S)-2-(4-chlorophenyl)-4-methoxy-N-(thiazol-2-yl)butanamide
Inchi KeyFRVUAPNBUCXRLI-LBPRGKRZSA-N
Inchi IDInChI=1S/C14H15ClN2O2S/c1-19-8-6-12(10-2-4-11(15)5-3-10)13(18)17-14-16-7-9-20-14/h2-5,7,9,12H,6,8H2,1H3,(H,16,17,18)/t12-/m0/s1
PubChem CID46226355
ChEMBLCHEMBL594597
IUPHARN/A
BindingDB50305925
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Efficacy53.0 %PMID20005104ChEMBL
IC50170000.0 nMPMID20005104BindingDB,ChEMBL

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