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:

Ligand

NameCHEMBL591034
Molecular formulaC25H25NO4
IUPAC name3-[4-(phenoxymethyl)-2-(2-phenylethylcarbamoyl)phenyl]propanoic acid
Molecular weight403.478
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.4
Synonyms3-(4-(Phenoxymethyl)-2-{[(2-phenylethyl)amino]carbonyl}phenyl)propanoic acid
BDBM50308903
SCHEMBL2978596
Inchi KeyBZUNQYCTNHWATL-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H25NO4/c27-24(28)14-13-21-12-11-20(18-30-22-9-5-2-6-10-22)17-23(21)25(29)26-16-15-19-7-3-1-4-8-19/h1-12,17H,13-16,18H2,(H,26,29)(H,27,28)
PubChem CID23017563
ChEMBLCHEMBL591034
IUPHARN/A
BindingDB50308903
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
36792Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
36791Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
36793Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
36794Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513

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