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Ligand

NameIABA
Molecular formulaC17H19IN6O4
IUPAC name(2R,3R,4S,5R)-2-[6-[(4-amino-3-iodophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight498.281
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP1.1
Synonyms(2R,3R,4S,5R)-2-[6-[(4-amino-3-iodophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Adenosine, N-[(4-amino-3-iodophenyl)methyl]-
N(6)-(4-Amino-3-(I(125))iodobenzyl)adenosine
CTK3G7705
N6-(4-amino-3-iodobenzyl)adenosine
[ Show all ]
Inchi KeyREGZQZHKIFOMRK-LSCFUAHRSA-N
Inchi IDInChI=1S/C17H19IN6O4/c18-9-3-8(1-2-10(9)19)4-20-15-12-16(22-6-21-15)24(7-23-12)17-14(27)13(26)11(5-25)28-17/h1-3,6-7,11,13-14,17,25-27H,4-5,19H2,(H,20,21,22)/t11-,13-,14-,17-/m1/s1
PubChem CID125348
ChEMBLN/A
IUPHAR458
BindingDB82557
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
294087Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
294089Adenosine receptor A1P34970ADORA1Oryctolagus cuniculus (Rabbit)328
294086Adenosine receptor A3O02667ADORA3Oryctolagus cuniculus (Rabbit)319
294088Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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