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Ligand Download |
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| 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 | ||
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
| Betaine ABC transporter permease and substrate binding protein | Q7DAU8 (Q7DAU8_LACLA) | Lactococcus lactis | 3L6H | Kd : 4000.0 nM | PDBBind | SHOW |
| Glycine betaine/proline betaine-binding periplasmic protein | P0AFM2 (PROX_ECOLI) | Escherichia coli | 1R9L | Kd : 4000.0 nM | PDBBind | SHOW |
| Osmoprotection protein (ProX) | O29280 (O29280_ARCFU) | Archaeoglobus fulgidus | 1SW2 | Kd : 60.0 nM | PDBBind | SHOW |
| Glycine betaine-binding protein OpuAC | P46922 (OPUAC_BACSU) | Bacillus subtilis | 2B4L | Kd : 17000.0 nM | PDBBind | SHOW |
| Glycine betaine/carnitine/choline-binding protein OpuCC | O32243 (OPUCC_BACSU) | Bacillus subtilis | 3PPP | Kd : 6000.0 nM | PDBBind | SHOW |
| Choline-binding protein | Q45462 (OPUBC_BACSU) | Bacillus subtilis | 6EYG |
- |
- |
SHOW |
| Glycine betaine, L-proline ABC transporter, glycine/betaine/L-proline-binding protein | O51169 (O51169_BORBU) | Borrelia burgdorferi | 3TMG |
- |
- |
SHOW |
| Glycine betaine transporter BetP | P54582 (BETP_CORGL) | Corynebacterium glutamicum | 4AIN |
- |
- |
SHOW |