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

NameCHEMBL2036321
Molecular formulaC28H30N2O4S2
IUPAC name2-[2-[(2R)-2-[(E,3S)-4-[3-(3,4-dimethylphenyl)phenyl]-3-hydroxybut-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
Molecular weight522.678
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.2
SynonymsBDBM50385141
SCHEMBL14270373
Inchi KeyQBUJKNBDVBZVJH-IEZNSWIASA-N
Inchi IDInChI=1S/C28H30N2O4S2/c1-18-6-7-22(14-19(18)2)21-5-3-4-20(15-21)16-24(31)10-8-23-9-11-26(32)30(23)12-13-35-28-29-25(17-36-28)27(33)34/h3-8,10,14-15,17,23-24,31H,9,11-13,16H2,1-2H3,(H,33,34)/b10-8+/t23-,24+/m0/s1
PubChem CID10481859
ChEMBLCHEMBL2036321
IUPHARN/A
BindingDB50385141
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
274440Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
274436Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
274441Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
274437Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
274438Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513
274439Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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