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Ligand

Name(S)-PIA
Molecular formulaC19H23N5O4
IUPAC name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2S)-1-phenylpropan-2-yl]amino]purin-9-yl]oxolane-3,4-diol
Molecular weight385.424
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP2.0
Synonyms(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2S)-1-phenylpropan-2-yl]amino]purin-9-yl]oxolane-3,4-diol
AC1NSM10
N6-(D-2-Phenylisopropyl)adenosine
S-PIA
CHEMBL420705
[ Show all ]
Inchi KeyRIRGCFBBHQEQQH-KFAHYOAQSA-N
Inchi IDInChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13+,15+,16+,19+/m0/s1
PubChem CID5312112
ChEMBLCHEMBL420705
IUPHAR415
BindingDB50080398
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: 10
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
297097Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
297098Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
297099Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
297100Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
297104Adenosine receptor A2aP46616ADORA2ACavia porcellus (Guinea pig)409
297105Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
554738Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
297096Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
297103Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
297102Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466

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