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Ligand

Name3-Isobutyl-1-methylxanthine
Molecular formulaC10H14N4O2
IUPAC name1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
Molecular weight222.248
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.5
SynonymsKBio2_003061
NCGC00015559-03
AKOS003390599
KBioGR_000493
NCGC00015559-11
[ Show all ]
Inchi KeyAPIXJSLKIYYUKG-UHFFFAOYSA-N
Inchi IDInChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
PubChem CID3758
ChEMBLCHEMBL275084
IUPHAR388
BindingDB15336
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11027Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
11028Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
11029Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
11024Adenosine receptor A2aP46616ADORA2ACavia porcellus (Guinea pig)409
11030Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
555519Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
11026Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
11025Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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