Ligand |
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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 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| Binding MOAD | Kd : 737000 nM |