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Ligand

NameCHEMBL296960
Molecular formulaC11H17N5O14P4
IUPAC nameN-methyl-9-(3,5,7,9-tetrahydroxy-3,5,7,9-tetraoxo-2,4,6,8,10,13-hexaoxa-3lambda5,5lambda5,7lambda5,9lambda5-tetraphosphabicyclo[10.3.0]pentadecan-14-yl)purin-6-amine
Molecular weight567.173
Hydrogen bond acceptor18
Hydrogen bond donor5
XlogP-4.2
SynonymsBDBM50076466
2-(6-Methylamino-purin-9-yl)-5,7,9,11-tetraoxo-tetrahydro-1,4,6,8,10,12-hexaoxa-5lambda*5*,7lambda*5*,9lambda*5*,11lambda*5*-tetraphospha-cyclopentacyclododecene-5,7,9,11-tetraol
Inchi KeyBOKCRJWEZVNVFV-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H17N5O14P4/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6-7(26-8)3-25-31(17,18)28-33(21,22)30-34(23,24)29-32(19,20)27-6/h4-8H,2-3H2,1H3,(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,12,13,14)
PubChem CID44289673
ChEMBLN/A
IUPHARN/A
BindingDB50076466
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
558143P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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