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

NameCHEMBL67313
Molecular formulaC15H16N4O2
IUPAC name3-methyl-1-(3-phenylpropyl)-7H-purine-2,6-dione
Molecular weight284.319
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.3
Synonyms3-Methyl-1-(3-phenyl-propyl)-3,7-dihydro-purine-2,6-dione
BDBM50113234
OQPVMZLXRVLYHM-UHFFFAOYSA-N
3-methyl-1-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
SCHEMBL3116806
Inchi KeyOQPVMZLXRVLYHM-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H16N4O2/c1-18-13-12(16-10-17-13)14(20)19(15(18)21)9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,16,17)
PubChem CID11822168
ChEMBLCHEMBL67313
IUPHARN/A
BindingDB50113234
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
248041Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
248040Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
248042Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
248043Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
248044Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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