Ligand

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Ligand Name:   [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(sulfanyl)phosphoryl] hydrogen phosphate
HET ID:   WZO PubChem:   135567226
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CO[C@@H]1[C@H](O)[C@H](O[C@H]1n1c[n+](c2c1nc(N)[nH]c2=O)C)CO[P@](=O)(O[P@@](=O)(OP(=O)(O)O)S)O
Standard InChI:   InChI=1S/C12H20N5O13P3S/c1-16-4-17(9-6(16)10(19)15-12(13)14-9)11-8(26-2)7(18)5(28-11)3-27-32(23,24)30-33(25,34)29-31(20,21)22/h4-5,7-8,11,18H,3H2,1-2H3,(H6-,13,14,15,19,20,21,22,23,24,25,34)/p+1/t5-,7-,8-,11-,33-/m1/s1
Molecular Formula:   C12H21N5O13P3S+ Mol. Weight:   568.3071 Heavy Atoms:   34
Charge:   1 Is Chiral:   True logP:   -0.7334
HBD:   7 HBA:   17 TPSA:   327.09
#Bonds:   41 #Rotatable Bonds:   9 Shape Complexity:   0.5833333
Stereocomplexity:   0.5
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Eukaryotic translation initiation factor 4E P63073 (IF4E_MOUSE) Mus musculus 5M7V
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Eukaryotic translation initiation factor 4E P63073 (IF4E_MOUSE) Mus musculus 5M7W
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SHOW
Eukaryotic translation initiation factor 4E P63073 (IF4E_MOUSE) Mus musculus 6GKK
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