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Ligand

NameCHEMBL2112865
Molecular formulaC14H21N5O8P2S
IUPAC name[(1R,2S,4S,5S)-4-[6-(methylamino)-2-methylsulfanylpurin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate
Molecular weight481.357
Hydrogen bond acceptor13
Hydrogen bond donor5
XlogP-1.7
SynonymsBDBM50409762
Inchi KeyAVJWGKNPHWXPQA-JWUFEOHASA-N
Inchi IDInChI=1S/C14H21N5O8P2S/c1-15-11-10-12(18-13(17-11)30-2)19(6-16-10)8-3-9(27-29(23,24)25)14(4-7(8)14)5-26-28(20,21)22/h6-9H,3-5H2,1-2H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t7-,8+,9+,14+/m1/s1
PubChem CID11409030
ChEMBLCHEMBL2112865
IUPHARN/A
BindingDB50409762
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15351P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373

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