Ligand |
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| Ligand Name: N-DIMETHYL-LYSINE | ||
| HET ID: MLY | PubChem: 193344 | |
| DrugBank: DB03362 | ChEMBL: CHEMBL1234365 | |
| Canonical SMILES: CN(CCCC[C@@H](C(=O)O)N)C | ||
| Standard InChI: InChI=1S/C8H18N2O2/c1-10(2)6-4-3-5-7(9)8(11)12/h7H,3-6,9H2,1-2H3,(H,11,12)/t7-/m0/s1 | ||
| Molecular Formula: C8H18N2O2 | Mol. Weight: 174.24072 | Heavy Atoms: 12 |
| Charge: 0 | Is Chiral: True | logP: 0.8305 |
| HBD: 2 | HBA: 4 | TPSA: 66.56 |
| #Bonds: 12 | #Rotatable Bonds: 6 | Shape Complexity: 0.875 |
| Stereocomplexity: 0.125 | Ligand Type: Influenza virus NS1-K229me2 | |
Binding Affinity |
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