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
SpeciesMus musculus (Mouse)
GeneFfar2
SynonymFFA2 receptor
FFA2R
G protein-coupled receptor 43
G-protein coupled receptor 43
GPCR3
[ Show all ]
DiseaseN/A for non-human GPCRs
Length330
Amino acid sequenceMTPDWHSSLILTAYILIFLTGLPANLLALRAFMGRVRQPQPAPVHILLLNLTLADLLLLLLLPFRIVEAASNFRWYLPKIVCALTGFGFYSSIYCSTWLLAGISMERYLGVAFPVQYKLSRRPLYGVIAALVAWIMSFGHCTIVIIVQYLNSTEQVGTENQITCYENFTQEQLDVVLPVRLELCLVLFFVPMAVTIFCYWRFVWIMLTQPHVGAQRRRRAVGLAVVTLLNFLVCFGPYNMSHLVGFYLRQSPSWRVEAVVFSSLNASLDPLLFYFSSSVVRRAFGKGLLLIRNPASSMLGRGAKETVEGTKMDRGGSQAEGVQSSEFVTE
UniProtQ8VCK6
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3309047
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL594524
Molecular formulaC15H17ClN2OS
IUPAC name(2S)-2-(4-chlorophenyl)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
Molecular weight308.824
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.5
SynonymsZINC3282389
(2S)-2-(4-chlorophenyl)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
AC1M6GQV
(S)-2-(4-chlorophenyl)-3-methyl-N-(5-methylthiazol-2-yl)butanamide
BDBM50305979
Inchi KeyDFTNXSBJYPSRAQ-ZDUSSCGKSA-N
Inchi IDInChI=1S/C15H17ClN2OS/c1-9(2)13(11-4-6-12(16)7-5-11)14(19)18-15-17-8-10(3)20-15/h4-9,13H,1-3H3,(H,17,18,19)/t13-/m0/s1
PubChem CID2397905
ChEMBLCHEMBL594524
IUPHARN/A
BindingDB50305979
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity1.4 uMPMID20005104ChEMBL

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