Ligand |
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| Ligand Name: 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | ||
| HET ID: SAF | PubChem: 445892 | |
| DrugBank: DB04556 | ChEMBL: CHEMBL1235828 | |
| Canonical SMILES: CN([C@H](c1cccc(c1)O)C)C | ||
| Standard InChI: InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3/t8-/m0/s1 | ||
| Molecular Formula: C10H15NO | Mol. Weight: 165.2322 | Heavy Atoms: 12 |
| Charge: 0 | Is Chiral: True | logP: 2.0148 |
| HBD: 1 | HBA: 2 | TPSA: 23.47 |
| #Bonds: 13 | #Rotatable Bonds: 2 | Shape Complexity: 0.4 |
| Stereocomplexity: 0.1 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| BindingDB | Ki : 700 nM |