Ligand |
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| Ligand Name: (2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid | ||
| HET ID: M2L | PubChem: 28212126 | |
| DrugBank: - | ChEMBL: CHEMBL1234161 | |
| Canonical SMILES: CN(CCSC[C@@H](C(=O)O)N)C | ||
| Standard InChI: InChI=1S/C7H16N2O2S/c1-9(2)3-4-12-5-6(8)7(10)11/h6H,3-5,8H2,1-2H3,(H,10,11)/t6-/m0/s1 | ||
| Molecular Formula: C7H16N2O2S | Mol. Weight: 192.27914 | Heavy Atoms: 12 |
| Charge: 0 | Is Chiral: True | logP: 0.3934 |
| HBD: 2 | HBA: 5 | TPSA: 91.86 |
| #Bonds: 12 | #Rotatable Bonds: 6 | Shape Complexity: 0.85714287 |
| Stereocomplexity: 0.14285715 | Ligand Type: H3K36me2 | |
Binding Affinity |
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