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 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

NameCHEMBL3228811
Molecular formulaC21H31N3O
IUPAC name5,7-dimethyl-1-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]-1,8-naphthyridin-2-one
Molecular weight341.499
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.7
SynonymsN/A
Inchi KeyRYIIUGUFAKFLGV-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H31N3O/c1-15-14-16(2)22-19-17(15)8-9-18(25)23(19)12-13-24-20(3,4)10-7-11-21(24,5)6/h8-9,14H,7,10-13H2,1-6H3
PubChem CID90668677
ChEMBLCHEMBL3228811
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
308120Histamine H2 receptorP25102Hrh2Rattus norvegicus (Rat)358

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417