Ligand

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Ligand Name:   [[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL] PHOSPHONO HYDROGEN PHOSPHATE
HET ID:   MGO PubChem:   16750126
DrugBank:   - ChEMBL:   CHEMBL1234302
Canonical SMILES:   O[C@@H]1[C@@H](CO[P@@](=O)(O[P@](=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1c[n+](c2c1cc(N)[nH]c2=O)C
Standard InChI:   InChI=1S/C12H19N4O14P3/c1-15-4-16(5-2-7(13)14-11(19)8(5)15)12-10(18)9(17)6(28-12)3-27-32(23,24)30-33(25,26)29-31(20,21)22/h2,4,6,9-10,12,17-18H,3H2,1H3,(H6-,13,14,19,20,21,22,23,24,25,26)/p+1/t6-,9-,10-,12-/m1/s1
Molecular Formula:   C12H20N4O14P3+ Mol. Weight:   537.22687 Heavy Atoms:   33
Charge:   1 Is Chiral:   True logP:   -1.72
HBD:   8 HBA:   16 TPSA:   306.63
#Bonds:   40 #Rotatable Bonds:   8 Shape Complexity:   0.5
Stereocomplexity:   0.5
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Eukaryotic translation initiation factor 4E P06730 (IF4E_HUMAN) Homo sapiens 2W97 Kd : 9.0 nM Binding MOAD SHOW
Eukaryotic translation initiation factor 4E P06730 (IF4E_HUMAN) Homo sapiens 4AZA
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