Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX 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 NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL3264203
Molecular formulaC22H23FN2O
IUPAC name(E)-3-(4-fluoro-3,5-dimethylphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide
Molecular weight350.437
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.6
SynonymsSCHEMBL14335111
Inchi KeyACJLELIGJGCTIM-CMDGGOBGSA-N
Inchi IDInChI=1S/C22H23FN2O/c1-15-12-18(13-16(2)22(15)23)8-9-21(26)24-10-11-25-17(3)14-19-6-4-5-7-20(19)25/h4-9,12-14H,10-11H2,1-3H3,(H,24,26)/b9-8+
PubChem CID71499414
ChEMBLCHEMBL3264203
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1629Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
1631Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
1630Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
1628Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488

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