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Ligand

NameCHEMBL2386490
Molecular formulaC18H21N5O11P2S
IUPAC name[(2R,3R,4S,5R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-4-hydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] benzoate
Molecular weight577.398
Hydrogen bond acceptor16
Hydrogen bond donor5
XlogP-1.6
SynonymsBDBM50435012
Inchi KeyKKIOXGKWHHDPLE-QZDOHJIMSA-N
Inchi IDInChI=1S/C18H21N5O11P2S/c1-37-18-21-14(19)11-15(22-18)23(8-20-11)16-13(33-17(25)9-5-3-2-4-6-9)12(24)10(32-16)7-31-36(29,30)34-35(26,27)28/h2-6,8,10,12-13,16,24H,7H2,1H3,(H,29,30)(H2,19,21,22)(H2,26,27,28)/t10-,12+,13-,16-/m1/s1
PubChem CID73354953
ChEMBLCHEMBL2386490
IUPHARN/A
BindingDB50435012
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
171184P2Y purinoceptor 11Q96G91P2RY11Homo sapiens (Human)374

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