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

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-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 DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

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

NameCHEMBL1093709
Molecular formulaC21H21N3O4
IUPAC nameN-ethyl-6-(4-methoxyphenyl)-N-(6-methoxypyridin-3-yl)-2-oxo-1H-pyridine-3-carboxamide
Molecular weight379.416
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.6
SynonymsBDBM50314524
N-ethyl-6-(4-methoxyphenyl)-N-(6-methoxypyridin-3-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide
Inchi KeyAYGBCOPDQGTTDR-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21N3O4/c1-4-24(15-7-12-19(28-3)22-13-15)21(26)17-10-11-18(23-20(17)25)14-5-8-16(27-2)9-6-14/h5-13H,4H2,1-3H3,(H,23,25)
PubChem CID46883925
ChEMBLCHEMBL1093709
IUPHARN/A
BindingDB50314524
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
17415Oxytocin receptorP30559OXTRHomo sapiens (Human)389

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