Home Research COVID-19 Services Publications People Teaching Job Opening 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 EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN 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 FASPR

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 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

NameCHEMBL610333
Molecular formulaC15H16Cl2N2OS
IUPAC name(2S)-2-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3,3-dimethylbutanamide
Molecular weight343.266
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM50305905
(S)-2-(4-chlorophenyl)-N-(5-chlorothiazol-2-yl)-3,3-dimethylbutanamide
Inchi KeyBGHIUGMVXLYQHX-LBPRGKRZSA-N
Inchi IDInChI=1S/C15H16Cl2N2OS/c1-15(2,3)12(9-4-6-10(16)7-5-9)13(20)19-14-18-8-11(17)21-14/h4-8,12H,1-3H3,(H,18,19,20)/t12-/m0/s1
PubChem CID46226274
ChEMBLCHEMBL610333
IUPHARN/A
BindingDB50305905
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Efficacy97.0 %PMID20005104ChEMBL
IC501000.0 nMPMID20005104BindingDB,ChEMBL

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