Ligand Download |
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Ligand Name: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE | ||
HET ID: MGT | PubChem: 135486126, 6323407, 5288807 | |
DrugBank: DB03358 | ChEMBL: CHEMBL1234306 | |
Canonical SMILES: CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O | ||
Standard InChI: InChI=1S/C11H20N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,13,14,19) | ||
Molecular Formula: C11H20N5O14P3 | Mol. Weight: 539.2229 | Heavy Atoms: 33 |
Charge: 0 | Is Chiral: True | logP: -1.933 |
HBD: 8 | HBA: 18 | TPSA: 317.19 |
#Bonds: 35 | #Rotatable Bonds: 8 | Shape Complexity: 0.6363636 |
Stereocomplexity: 0.54545456 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Replicase | F4ZDJ0 (F4ZDJ0_RVFV) | Rift valley fever virus | 6QHG | Kd : 737000.0 nM | Binding MOAD | SHOW |
Eukaryotic translation initiation factor 4E type 2 | O60573 (IF4E2_HUMAN) | Homo sapiens | 2JGB | Ka : 410000.0 M^-1 | Binding MOAD | SHOW |
Eukaryotic translation initiation factor 4E | P06730 (IF4E_HUMAN) | Homo sapiens | 5ZK7 |
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SHOW |
Eukaryotic translation initiation factor 4E1 | P48598 (IF4E_DROME) | Drosophila melanogaster | 4TQB |
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SHOW |