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Ligand

NameAC1L1GG2
Molecular formulaC18H19IN6O4
IUPAC name3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]-N-methyloxolane-2-carboxamide
Molecular weight510.292
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP0.9
SynonymsCHEBI:91576
HMS3267E16
HMS3369A19
3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide
BCP09014
[ Show all ]
Inchi KeyHUJXGQILHAUCCV-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)
PubChem CID3668
ChEMBLN/A
IUPHARN/A
BindingDB50034171
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1243835-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
1243825-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
124386Adenosine receptor A1P49892ADORA1Gallus gallus (Chicken)324
124388Adenosine receptor A1P34970ADORA1Oryctolagus cuniculus (Rabbit)328
124387Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
124385Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
124381Adenosine receptor A3O02667ADORA3Oryctolagus cuniculus (Rabbit)319
124384Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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