Ligand |
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| Ligand Name: 2-(TRIMETHYLAMMONIUM)ETHYL THIOL | ||
| HET ID: ETM | PubChem: 37851 | |
| DrugBank: DB01803 | ChEMBL: CHEMBL136145 | |
| Canonical SMILES: SCC[N+](C)(C)C | ||
| Standard InChI: InChI=1S/C5H13NS/c1-6(2,3)4-5-7/h4-5H2,1-3H3/p+1 | ||
| Molecular Formula: C5H14NS+ | Mol. Weight: 120.23636 | Heavy Atoms: 7 |
| Charge: 1 | Is Chiral: False | logP: 0.6224 |
| HBD: 1 | HBA: 1 | TPSA: 38.8 |
| #Bonds: 6 | #Rotatable Bonds: 2 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| BindingDB | IC50 : 4.400000095367432 nM |