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

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameSMR000201550
Molecular formulaC24H26N2O3S2
IUPAC name4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
Molecular weight454.603
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.0
Synonyms4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-{2-[(4-methylphenyl)sulfanyl]ethyl}benzamide
4-methyl-3-{[(3-methylphenyl)amino]sulfonyl}-N-{2-[(4-methylphenyl)thio]ethyl}benzamide
AC1MG7GI
AKOS000378074
[ Show all ]
Inchi KeyADGNKYCYINZIDG-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26N2O3S2/c1-17-7-11-22(12-8-17)30-14-13-25-24(27)20-10-9-19(3)23(16-20)31(28,29)26-21-6-4-5-18(2)15-21/h4-12,15-16,26H,13-14H2,1-3H3,(H,25,27)
PubChem CID2981744
ChEMBLCHEMBL1563851
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
2294Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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