Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER C-I-TASSER QUARK C-QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH Threapp BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN 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 TripletRes WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameMLS000570445
Molecular formulaC25H20N2O3
IUPAC nameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)quinoline-4-carboxamide
Molecular weight396.446
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.8
SynonymsHMS2165E20
Oprea1_115051
AKOS003252295
STK418964
CHEMBL1499276
[ Show all ]
Inchi KeyAVBFGEPJASDZCA-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H20N2O3/c1-16-6-8-17(9-7-16)22-15-20(19-4-2-3-5-21(19)27-22)25(28)26-18-10-11-23-24(14-18)30-13-12-29-23/h2-11,14-15H,12-13H2,1H3,(H,26,28)
PubChem CID1220296
ChEMBLCHEMBL1499276
IUPHARN/A
BindingDB42522
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15151Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
15150Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
15149Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381

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