Ligand |
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| Ligand Name: N6-METHYLADENOSINE-5'-MONOPHOSPHATE | ||
| HET ID: 6MZ | PubChem: 16760025 | |
| DrugBank: - | ChEMBL: CHEMBL1230507 | |
| Canonical SMILES: CNc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(O)O | ||
| Standard InChI: InChI=1S/C11H16N5O7P/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11,17-18H,2H2,1H3,(H,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1 | ||
| Molecular Formula: C11H16N5O7P | Mol. Weight: 361.2478 | Heavy Atoms: 24 |
| Charge: 0 | Is Chiral: True | logP: -1.3305 |
| HBD: 5 | HBA: 12 | TPSA: 181.89 |
| #Bonds: 30 | #Rotatable Bonds: 5 | Shape Complexity: 0.54545456 |
| Stereocomplexity: 0.36363637 | Ligand Type: Small Molecule | |
Binding Affinity |
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