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

NameMLS001138648
Molecular formulaC19H23N3O3S
IUPAC name4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methylpyridin-2-yl)benzamide
Molecular weight373.471
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.8
Synonyms1031101-57-1
4-[(4-methylpiperidin-1-yl)sulfonyl]-N-(5-methylpyridin-2-yl)benzamide
AKOS034477040
CHEMBL1356877
HMS3005E17
[ Show all ]
Inchi KeyAEVORYPKJRESPT-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H23N3O3S/c1-14-9-11-22(12-10-14)26(24,25)17-6-4-16(5-7-17)19(23)21-18-8-3-15(2)13-20-18/h3-8,13-14H,9-12H2,1-2H3,(H,20,21,23)
PubChem CID24982872
ChEMBLCHEMBL1356877
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3886Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463352Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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