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

NameCHEMBL2036317
Molecular formulaC26H32N2O5S
IUPAC name4-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-[3-(pyridin-4-ylmethoxy)phenyl]but-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]butanoic acid
Molecular weight484.611
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.3
SynonymsBDBM50385127
SCHEMBL10210635
Inchi KeyRUIWHFGZUWJVMV-JVRPOKLMSA-N
Inchi IDInChI=1S/C26H32N2O5S/c29-23(17-21-3-1-4-24(18-21)33-19-20-10-12-27-13-11-20)8-6-22-7-9-25(30)28(22)14-16-34-15-2-5-26(31)32/h1,3-4,6,8,10-13,18,22-23,29H,2,5,7,9,14-17,19H2,(H,31,32)/b8-6+/t22-,23+/m0/s1
PubChem CID57893957
ChEMBLCHEMBL2036317
IUPHARN/A
BindingDB50385127
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
305315Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
305313Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
305316Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
305312Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488
305314Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513

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