|
Ligand Download |
||
 | ||
| Ligand Name: trimethylamine oxide | ||
| HET ID: TMO | PubChem: 1145 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: [O-][N+](C)(C)C | ||
| Standard InChI: InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3 | ||
| Molecular Formula: C3H9NO | Mol. Weight: 75.10966 | Heavy Atoms: 5 |
| Charge: 0 | Is Chiral: False | logP: 0.2113 |
| HBD: 0 | HBA: 1 | TPSA: 29.43 |
| #Bonds: 4 | #Rotatable Bonds: 0 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.0 | ||
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
| Glycine betaine/proline ABC transporter, periplasmic substrate-binding protein | Q5LT66 (Q5LT66_RUEPO) | Ruegeria pomeroyi | 4XZ6 | Kd : 1600.0 nM | Binding MOAD | SHOW |
| Periplasmic protein TorT | Q87ID2 (Q87ID2_VIBPA) | Vibrio parahaemolyticus serotype O3:K6 | 3O1H |
- |
- |
SHOW |