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

NameCHEMBL1957436
Molecular formulaC26H25ClN2O4S2
IUPAC name2-[2-[(2R)-2-[(E,3S)-4-[3-(4-chlorophenyl)phenyl]-3-hydroxybut-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
Molecular weight529.066
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.1
SynonymsBDBM50366137
SCHEMBL10210673
Inchi KeyFZLGDIHXQOETBY-PCBIHFGQSA-N
Inchi IDInChI=1S/C26H25ClN2O4S2/c27-20-6-4-18(5-7-20)19-3-1-2-17(14-19)15-22(30)10-8-21-9-11-24(31)29(21)12-13-34-26-28-23(16-35-26)25(32)33/h1-8,10,14,16,21-22,30H,9,11-13,15H2,(H,32,33)/b10-8+/t21-,22+/m0/s1
PubChem CID57384034
ChEMBLCHEMBL1957436
IUPHARN/A
BindingDB50366137
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
91019Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
91017Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
91018Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
91020Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
91016Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513
91021Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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