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

NameCHEMBL1929545
Molecular formulaC21H29NO3S
IUPAC name7-[(2R)-2-[(E,3S)-3-hydroxy-4-phenylbut-1-enyl]-5-sulfanylidenepyrrolidin-1-yl]heptanoic acid
Molecular weight375.527
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.1
SynonymsBDBM50360152
SCHEMBL4911484
Inchi KeyCNIZRWKAPUNIBQ-VJKINUSGSA-N
Inchi IDInChI=1S/C21H29NO3S/c23-19(16-17-8-4-3-5-9-17)13-11-18-12-14-20(26)22(18)15-7-2-1-6-10-21(24)25/h3-5,8-9,11,13,18-19,23H,1-2,6-7,10,12,14-16H2,(H,24,25)/b13-11+/t18-,19+/m0/s1
PubChem CID10384865
ChEMBLCHEMBL1929545
IUPHARN/A
BindingDB50360152
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
46085Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
46084Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
46083Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
46082Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513
46086Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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