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

NameCHEMBL3745812
Molecular formulaC19H15F2N3O2
IUPAC name2-[(4-fluorophenoxy)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
Molecular weight355.345
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.0
SynonymsBDBM50134449
SCHEMBL9938366
Inchi KeyGKAKWEIIOGWJTD-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H15F2N3O2/c20-13-1-5-16(6-2-13)23-9-10-24-18(19(23)25)11-15(22-24)12-26-17-7-3-14(21)4-8-17/h1-8,11H,9-10,12H2
PubChem CID67974346
ChEMBLCHEMBL3745812
IUPHARN/A
BindingDB50134449
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
524406Metabotropic glutamate receptor 3Q14832GRM3Homo sapiens (Human)879
524405Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212

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