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

NameCHEMBL87797
Molecular formulaC28H28N2O5S2
IUPAC name1-[[2-[4-[3-(3-methylphenoxy)propoxy]phenyl]phenyl]methyl]-3-thiophen-2-ylsulfonylurea
Molecular weight536.661
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.0
SynonymsBDBM50117698
N-({[(4''-(3-[3-methylphenyl]-propoxy)-1,1''-biphenyl-2-yl)methyl]amino}carbonyl)thiophene-2-sulfonamide
1-[4'-[3-(3-Methylphenoxy)propoxy]-2-biphenylylmethyl]-3-(2-thienylsulfonyl)urea
Inchi KeyAXSQIUFBWNPAML-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H28N2O5S2/c1-21-7-4-9-25(19-21)35-17-6-16-34-24-14-12-22(13-15-24)26-10-3-2-8-23(26)20-29-28(31)30-37(32,33)27-11-5-18-36-27/h2-5,7-15,18-19H,6,16-17,20H2,1H3,(H2,29,30,31)
PubChem CID44320388
ChEMBLCHEMBL87797
IUPHARN/A
BindingDB50117698
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
17049Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
17050Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
17051Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
17052Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488

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