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 EM-Refiner

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 CASP14

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

NameCHEMBL2163924
Molecular formulaC27H31NO5S
IUPAC name3-[4-[[3-[2-methyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methylamino]phenyl]propanoic acid
Molecular weight481.607
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.9
SynonymsBDBM50395071
Inchi KeyIGHJVOCIZJDBTG-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H31NO5S/c1-20-17-25(33-15-4-16-34(2,31)32)12-13-26(20)23-6-3-5-22(18-23)19-28-24-10-7-21(8-11-24)9-14-27(29)30/h3,5-8,10-13,17-18,28H,4,9,14-16,19H2,1-2H3,(H,29,30)
PubChem CID60195036
ChEMBLCHEMBL2163924
IUPHARN/A
BindingDB50395071
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5017.38 nMPMID22724451BindingDB,ChEMBL
Efficacy98.0 %PMID22724451ChEMBL

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