Ligand |
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| Ligand Name: 7-METHYLGUANOSINE | ||
| HET ID: MG7 | PubChem: 135445750 | |
| DrugBank: DB03493 | ChEMBL: CHEMBL1234293 | |
| Canonical SMILES: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c[n+](c2c1nc(N)[nH]c2=O)C | ||
| Standard InChI: InChI=1S/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,20)/p+1/t4-,6-,7-,10-/m1/s1 | ||
| Molecular Formula: C11H16N5O5+ | Mol. Weight: 298.27524 | Heavy Atoms: 21 |
| Charge: 1 | Is Chiral: True | logP: -2.676 |
| HBD: 5 | HBA: 8 | TPSA: 150.5 |
| #Bonds: 28 | #Rotatable Bonds: 2 | Shape Complexity: 0.54545456 |
| Stereocomplexity: 0.36363637 | Ligand Type: Small Molecule | |
Binding Affinity |
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