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

NameCHEMBL591298
Molecular formulaC26H27NO4
IUPAC name3-[4-(phenoxymethyl)-2-(1-phenylpropylcarbamoyl)phenyl]propanoic acid
Molecular weight417.505
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.8
SynonymsBDBM50308910
SCHEMBL2984080
3-(4-(Phenoxymethyl)-2-{[(1-phenylpropyl)amino]carbonyl}phenyl)propanoic acid
Inchi KeyBUWAGMJUQPCWLH-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H27NO4/c1-2-24(21-9-5-3-6-10-21)27-26(30)23-17-19(13-14-20(23)15-16-25(28)29)18-31-22-11-7-4-8-12-22/h3-14,17,24H,2,15-16,18H2,1H3,(H,27,30)(H,28,29)
PubChem CID23016747
ChEMBLCHEMBL591298
IUPHARN/A
BindingDB50308910
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
33404Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365

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