Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL562291
Molecular formulaC21H33NO5S
IUPAC name7-[(4-hexanoylphenyl)methyl-methylsulfonylamino]heptanoic acid
Molecular weight411.557
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.7
Synonyms7-(N-(4-hexanoylbenzyl)methylsulfonamido)heptanoic acid
7-[(4-Hexanoyl-benzyl)-methanesulfonyl-amino]-heptanoic Acid
BDBM50293500
NMROFMQEMIWYTD-UHFFFAOYSA-N
SCHEMBL5724785
Inchi KeyNMROFMQEMIWYTD-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H33NO5S/c1-3-4-7-10-20(23)19-14-12-18(13-15-19)17-22(28(2,26)27)16-9-6-5-8-11-21(24)25/h12-15H,3-11,16-17H2,1-2H3,(H,24,25)
PubChem CID22246956
ChEMBLCHEMBL562291
IUPHARN/A
BindingDB50293500
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
227180Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
227181Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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