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Ligand

NameCHEMBL2113562
Molecular formulaC19H22IN7O4
IUPAC name(2S,3S,4R,5R)-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]-2-(methylamino)purin-9-yl]-N-methyloxolane-2-carboxamide
Molecular weight539.334
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP1.2
SynonymsBDBM50453443
N-(3-Iodobenzyl)-2,5'-bis(methylamino)-5'-oxo-5'-deoxyadenosine
Inchi KeyBIODKXDSJHUVJY-MOROJQBDSA-N
Inchi IDInChI=1S/C19H22IN7O4/c1-21-17(30)14-12(28)13(29)18(31-14)27-8-24-11-15(25-19(22-2)26-16(11)27)23-7-9-4-3-5-10(20)6-9/h3-6,8,12-14,18,28-29H,7H2,1-2H3,(H,21,30)(H2,22,23,25,26)/t12-,13+,14-,18+/m0/s1
PubChem CID9958896
ChEMBLCHEMBL2113562
IUPHARN/A
BindingDB50453443
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
24606Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
24605Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
24604Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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