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

NameCHEMBL551951
Molecular formulaC17H35NO5S
IUPAC name7-[4-hydroxynonyl(methylsulfonyl)amino]heptanoic acid
Molecular weight365.529
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.1
Synonyms7-[N-(4-hydroxynonyl)methanesulfonamido]heptanoic acid
AZJVIHQWXFKTDB-UHFFFAOYSA-N
7-(N-(4-hydroxynonyl)methylsulfonamido)heptanoic acid
BDBM50293497
SCHEMBL4964157
Inchi KeyAZJVIHQWXFKTDB-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H35NO5S/c1-3-4-7-11-16(19)12-10-15-18(24(2,22)23)14-9-6-5-8-13-17(20)21/h16,19H,3-15H2,1-2H3,(H,20,21)
PubChem CID9885481
ChEMBLCHEMBL551951
IUPHARN/A
BindingDB50293497
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18240Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
18241Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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