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

NameSCHEMBL17334442
Molecular formulaC22H24N4O2
IUPAC name2-[(4-methoxy-N-methylanilino)methyl]-5-(4-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
Molecular weight376.46
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.3
SynonymsUS9676782, 99
BDBM197332
2-(((4-methoxyphenyl)(methyl)amino)methyl)-5-(p-tolyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
Inchi KeyAEWKNFMYSBFVCE-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24N4O2/c1-16-4-6-19(7-5-16)25-12-13-26-21(22(25)27)14-17(23-26)15-24(2)18-8-10-20(28-3)11-9-18/h4-11,14H,12-13,15H2,1-3H3
PubChem CID118575202
ChEMBLN/A
IUPHARN/A
BindingDB197332
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
557396Metabotropic glutamate receptor 3P31422Grm3Rattus norvegicus (Rat)879
557395Metabotropic glutamate receptor 5P31424Grm5Rattus norvegicus (Rat)1203

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