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

NameSCHEMBL17334388
Molecular formulaC21H21FN4O2
IUPAC name(7S)-5-(4-fluorophenyl)-2-[(4-methoxyanilino)methyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
Molecular weight380.423
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.3
SynonymsBDBM196644
(s)-5-(4-fluorophenyl)-2-(((4-methoxyphenyl)amino)methyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
US9676782, 63
Inchi KeyBBHUQRSQISOABZ-AWEZNQCLSA-N
Inchi IDInChI=1S/C21H21FN4O2/c1-14-13-25(18-7-3-15(22)4-8-18)21(27)20-11-17(24-26(14)20)12-23-16-5-9-19(28-2)10-6-16/h3-11,14,23H,12-13H2,1-2H3/t14-/m0/s1
PubChem CID118575147
ChEMBLN/A
IUPHARN/A
BindingDB196644
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
557867Metabotropic glutamate receptor 3P31422Grm3Rattus norvegicus (Rat)879
557868Metabotropic glutamate receptor 5P31424Grm5Rattus norvegicus (Rat)1203

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