Ligand |
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| Ligand Name: N-TRIMETHYLLYSINE | ||
| HET ID: M3L | PubChem: 440121, 6992003 | |
| DrugBank: DB03977 | ChEMBL: CHEMBL1234168 | |
| Canonical SMILES: OC(=O)[C@H](CCCC[N+](C)(C)C)N | ||
| Standard InChI: InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1 | ||
| Molecular Formula: C9H21N2O2+ | Mol. Weight: 189.27524 | Heavy Atoms: 13 |
| Charge: 1 | Is Chiral: True | logP: 0.9751 |
| HBD: 2 | HBA: 3 | TPSA: 63.32 |
| #Bonds: 13 | #Rotatable Bonds: 6 | Shape Complexity: 0.8888889 |
| Stereocomplexity: 0.11111111 | Ligand Type: H3K9me3 | |
Binding Affinity |
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