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

NameMLS000948115
Molecular formulaC22H24N4OS
IUPAC nameN-(3-methylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide
Molecular weight392.521
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.6
SynonymsCHEMBL1474542
MolPort-005-284-352
HMS2245B05
KUC105415N
ZINC6721225
[ Show all ]
Inchi KeyADPLFXGPKNUCGV-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24N4OS/c1-16-8-7-9-17(14-16)23-20(27)15-28-22-21(26-12-5-2-6-13-26)24-18-10-3-4-11-19(18)25-22/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3,(H,23,27)
PubChem CID16956475
ChEMBLCHEMBL1474542
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
2938Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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