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Ligand

NameCHEMBL129903
Molecular formulaC12H17N7O4
IUPAC name(2S,3S,4R,5R)-N-(2-aminoethyl)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight323.313
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP-2.0
Synonyms(2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid (2-amino-ethyl)-amide
5'-N-[(2-Amino)ethyl Carboxamido] Adenosine
Adenosine analog, 1
5''-N-[(2-AMINO)ETHYL CARBOXAMIDO] ADENOSINE
5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid (2-amino-ethyl)-amide
[ Show all ]
Inchi KeyXZUQLQNOMFGRFJ-FLNNQWSLSA-N
Inchi IDInChI=1S/C12H17N7O4/c13-1-2-15-11(22)8-6(20)7(21)12(23-8)19-4-18-5-9(14)16-3-17-10(5)19/h3-4,6-8,12,20-21H,1-2,13H2,(H,15,22)(H2,14,16,17)/t6-,7+,8-,12+/m0/s1
PubChem CID9996282
ChEMBLCHEMBL129903
IUPHARN/A
BindingDB50106539
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
4048642-oxoglutarate receptor 1Q6Y1R5Oxgr1Rattus norvegicus (Rat)337
404863Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
404868Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
404865Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
404867Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
404869Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
404866Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
404870Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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