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

NameSMR000104366
Molecular formulaC18H22N2O5S
IUPAC nameN-(2,4-dimethoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
Molecular weight378.443
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.3
SynonymsCBMicro_012944
Oprea1_614386
MLS000108408
AC1LR219
CHEMBL1523097
[ Show all ]
Inchi KeyADSMQVJAZHSKTR-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H22N2O5S/c1-13-5-7-14(8-6-13)20(26(4,22)23)12-18(21)19-16-10-9-15(24-2)11-17(16)25-3/h5-11H,12H2,1-4H3,(H,19,21)
PubChem CID1361027
ChEMBLCHEMBL1523097
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3036Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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