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

NameCHEMBL425243
Molecular formulaC22H26ClNO4S
IUPAC name5-[3-[(2S)-2-[4-(4-chlorophenyl)-3-hydroxybutyl]-5-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylic acid
Molecular weight435.963
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.4
SynonymsSCHEMBL4990824
BDBM50181282
5-(3-((S)-2-(4-(4-chlorophenyl)-3-hydroxybutyl)-5-oxopyrrolidin-1-yl)propyl)thiophene-2-carboxylic acid
Inchi KeyMEGLXJYQFSBUAK-ZENAZSQFSA-N
Inchi IDInChI=1S/C22H26ClNO4S/c23-16-5-3-15(4-6-16)14-18(25)9-7-17-8-12-21(26)24(17)13-1-2-19-10-11-20(29-19)22(27)28/h3-6,10-11,17-18,25H,1-2,7-9,12-14H2,(H,27,28)/t17-,18?/m0/s1
PubChem CID44409918
ChEMBLCHEMBL425243
IUPHARN/A
BindingDB50181282
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
203381Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
203380Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
203379Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
203378Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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