Ligand |
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| Ligand Name: N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | ||
| HET ID: 6MA | PubChem: 49866558 | |
| DrugBank: - | ChEMBL: CHEMBL1230502 | |
| Canonical SMILES: CNc1ncnc2c1ncn2[C@H]1C[C@@H]([C@H](O1)COP(=O)(O)O)O | ||
| Standard InChI: InChI=1S/C11H16N5O6P/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(17)7(22-8)3-21-23(18,19)20/h4-8,17H,2-3H2,1H3,(H,12,13,14)(H2,18,19,20)/t6-,7+,8+/m0/s1 | ||
| Molecular Formula: C11H16N5O6P | Mol. Weight: 345.2484 | Heavy Atoms: 23 |
| Charge: 0 | Is Chiral: True | logP: -0.3013 |
| HBD: 4 | HBA: 11 | TPSA: 161.66 |
| #Bonds: 28 | #Rotatable Bonds: 5 | Shape Complexity: 0.54545456 |
| Stereocomplexity: 0.27272728 | Ligand Type: Small Molecule | |
Binding Affinity |
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