Ligand |
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| Ligand Name: 5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE | ||
| HET ID: 5CM | PubChem: 102276 | |
| DrugBank: - | ChEMBL: CHEMBL1230393 | |
| Canonical SMILES: O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1cc(C)c(nc1=O)N | ||
| Standard InChI: InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1 | ||
| Molecular Formula: C10H16N3O7P | Mol. Weight: 321.2237 | Heavy Atoms: 21 |
| Charge: 0 | Is Chiral: True | logP: -0.5272 |
| HBD: 4 | HBA: 10 | TPSA: 166.94 |
| #Bonds: 25 | #Rotatable Bonds: 4 | Shape Complexity: 0.6 |
| Stereocomplexity: 0.3 | Ligand Type: Small Molecule | |
Binding Affinity |
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