Ligand |
||
 | ||
| Ligand Name: TRIMETHYL GLYCINE | ||
| HET ID: BET | PubChem: 248 | |
| DrugBank: DB04455 | ChEMBL: CHEMBL95889 | |
| Canonical SMILES: OC(=O)C[N+](C)(C)C | ||
| Standard InChI: InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1 | ||
| Molecular Formula: C5H12NO2+ | Mol. Weight: 118.15428 | Heavy Atoms: 8 |
| Charge: 1 | Is Chiral: False | logP: -0.2228 |
| HBD: 1 | HBA: 2 | TPSA: 37.3 |
| #Bonds: 7 | #Rotatable Bonds: 2 | Shape Complexity: 0.8 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
|
| Database Name | Value |
| PDBBind | Kd : 4000 nM |