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

NameCHEMBL574352
Molecular formulaC13H12N4O
IUPAC name5-methyl-2-(3-methylphenyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
Molecular weight240.266
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.4
Synonyms5-methyl-2-m-tolyl-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
BDBM50300685
Inchi KeyAHVDFDGMOOCNRJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H12N4O/c1-8-4-3-5-10(6-8)17-7-11-12(16-17)13(18)15-9(2)14-11/h3-7H,1-2H3,(H,14,15,18)
PubChem CID135911562
ChEMBLCHEMBL574352
IUPHARN/A
BindingDB50300685
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5906Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
5905Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
5907Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
5904Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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