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 DMFold 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

NameSCHEMBL1310801
Molecular formulaC21H25NO5
IUPAC name5-[[(2R)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid
Molecular weight371.433
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.4
SynonymsCHEMBL3891401
Inchi KeyBADIOVUTPYVHGM-MRXNPFEDSA-N
Inchi IDInChI=1S/C21H25NO5/c1-21(2,3)14-4-6-15(7-5-14)22-16(8-11-19(22)23)12-26-13-17-9-10-18(27-17)20(24)25/h4-7,9-10,16H,8,11-13H2,1-3H3,(H,24,25)/t16-/m1/s1
PubChem CID11855324
ChEMBLCHEMBL3891401
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
536454Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
536453Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
536456Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
536455Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488

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