Ligand |
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| Ligand Name: CHOLINE ION | ||
| HET ID: CHT | PubChem: 305 | |
| DrugBank: DB00122 | ChEMBL: CHEMBL920 | |
| Canonical SMILES: OCC[N+](C)(C)C | ||
| Standard InChI: InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 | ||
| Molecular Formula: C5H14NO+ | Mol. Weight: 104.17076 | Heavy Atoms: 7 |
| Charge: 1 | Is Chiral: False | logP: -0.3151 |
| HBD: 1 | HBA: 1 | TPSA: 20.23 |
| #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 |
| PDBBind | Kd : 30500 nM |
| Binding MOAD | IC50 : 30500 nM |