Ligand |
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| Ligand Name: 1-METHYLCYTOSINE | ||
| HET ID: 1MC | PubChem: 79143 | |
| DrugBank: DB04314 | ChEMBL: CHEMBL500883 | |
| Canonical SMILES: Cn1ccc(nc1=O)N | ||
| Standard InChI: InChI=1S/C5H7N3O/c1-8-3-2-4(6)7-5(8)9/h2-3H,1H3,(H2,6,7,9) | ||
| Molecular Formula: C5H7N3O | Mol. Weight: 125.12858 | Heavy Atoms: 9 |
| Charge: 0 | Is Chiral: False | logP: -0.0563 |
| HBD: 1 | HBA: 4 | TPSA: 60.91 |
| #Bonds: 9 | #Rotatable Bonds: 0 | Shape Complexity: 0.2 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
|
| Database Name | Value |
| PDBBind | Kd : 144000 nM |
| Binding MOAD | Kd : 144000 nM |