Ligand

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Ligand Name:   7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE
HET ID:   M7G PubChem:   135509116, 147071, 5288722
DrugBank:   DB01960 ChEMBL:   CHEMBL1234183
Canonical SMILES:   O[C@@H]1[C@@H](CO[P@@](=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)N1CN(c2c1nc(N)[nH]c2=O)C
Standard InChI:   InChI=1S/C11H19N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1
Molecular Formula:   C11H19N5O11P2 Mol. Weight:   459.24298 Heavy Atoms:   29
Charge:   0 Is Chiral:   True logP:   -2.05
HBD:   7 HBA:   15 TPSA:   260.85
#Bonds:   36 #Rotatable Bonds:   6 Shape Complexity:   0.6363636
Stereocomplexity:   0.45454547
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 4TQC
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Eukaryotic translation initiation factor 4E P63073 (IF4E_MOUSE) Mus musculus 1EJ1
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Eukaryotic translation initiation factor 4E-1 P29557 (IF4E1_WHEAT) Triticum aestivum 2IDV
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Eukaryotic translation initiation factor 4E P63073 (IF4E_MOUSE) Mus musculus 1EJH
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Eukaryotic translation initiation factor 4E P63073 (IF4E_MOUSE) Mus musculus 1EJ4
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SHOW