Ligand |
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| Ligand Name: N-METHYL-LYSINE | ||
| HET ID: MLZ | PubChem: 164795 | |
| DrugBank: DB01714 | ChEMBL: CHEMBL1234366 | |
| Canonical SMILES: CNCCCC[C@@H](C(=O)O)N | ||
| Standard InChI: InChI=1S/C7H16N2O2/c1-9-5-3-2-4-6(8)7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)/t6-/m0/s1 | ||
| Molecular Formula: C7H16N2O2 | Mol. Weight: 160.21414 | Heavy Atoms: 11 |
| Charge: 0 | Is Chiral: True | logP: 0.8792 |
| HBD: 3 | HBA: 4 | TPSA: 75.35 |
| #Bonds: 11 | #Rotatable Bonds: 6 | Shape Complexity: 0.85714287 |
| Stereocomplexity: 0.14285715 | Ligand Type: H3K4me1 mimic | |
Binding Affinity |
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