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Ligand

Namecaffeine
Molecular formulaC8H10N4O2
IUPAC name1,3,7-trimethylpurine-2,6-dione
Molecular weight194.194
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP-0.1
SynonymsHMS1920I09
Caffeine, European Pharmacopoeia (EP) Reference Standard
HSDB 36
Caffeine, Sigma Reference Standard, vial of 250 mg
KBio1_000730
[ Show all ]
Inchi KeyRYYVLZVUVIJVGH-UHFFFAOYSA-N
Inchi IDInChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
PubChem CID2519
ChEMBLCHEMBL113
IUPHAR407
BindingDB10849
DrugBankDB00201

Structure

SDF download

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

Known GPCRs

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Total entries: 13
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
308480Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
308481Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
308485Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326
308488Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
308482Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
308483Adenosine receptor A2aP46616ADORA2ACavia porcellus (Guinea pig)409
308484Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
308486Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
308492Adenosine receptor A2bQ60614Adora2bMus musculus (Mouse)332
554789Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
308489Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
308491Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
308487Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460

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