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

NameCHEMBL3617619
Molecular formulaC20H19FN4O2
IUPAC name(7R)-2-[(5-fluoropyridin-2-yl)oxymethyl]-7-methyl-5-(4-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
Molecular weight366.396
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.9
SynonymsBDBM50122273
Inchi KeyBPHWUMREZIPGSU-CQSZACIVSA-N
Inchi IDInChI=1S/C20H19FN4O2/c1-13-3-6-17(7-4-13)24-11-14(2)25-18(20(24)26)9-16(23-25)12-27-19-8-5-15(21)10-22-19/h3-10,14H,11-12H2,1-2H3/t14-/m1/s1
PubChem CID122190396
ChEMBLCHEMBL3617619
IUPHARN/A
BindingDB50122273
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
466555Metabotropic glutamate receptor 3P31422Grm3Rattus norvegicus (Rat)879
466556Metabotropic glutamate receptor 5P31424Grm5Rattus norvegicus (Rat)1203

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