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Ligand Download |
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| Ligand Name: 1,1-DIMETHYL-PROLINIUM | ||
| HET ID: PBE | PubChem: 448301 | |
| DrugBank: - | ChEMBL: CHEMBL1181353 | |
| Canonical SMILES: OC(=O)[C@@H]1CCC[N+]1(C)C | ||
| Standard InChI: InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/p+1/t6-/m0/s1 | ||
| Molecular Formula: C7H14NO2+ | Mol. Weight: 144.19156 | Heavy Atoms: 10 |
| Charge: 1 | Is Chiral: True | logP: 0.2686 |
| HBD: 1 | HBA: 2 | TPSA: 37.3 |
| #Bonds: 11 | #Rotatable Bonds: 1 | Shape Complexity: 0.85714287 |
| Stereocomplexity: 0.14285715 | ||
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
| Osmoprotection protein (ProX) | O29280 (O29280_ARCFU) | Archaeoglobus fulgidus | 1SW1 | Kd : 50.0 nM | PDBBind | SHOW |
| Osmoprotection protein (ProX) | O29280 (O29280_ARCFU) | Archaeoglobus fulgidus | 1SW1 | Kd : 50.0 nM | Binding MOAD | SHOW |
| Glycine betaine-binding protein OpuAC | P46922 (OPUAC_BACSU) | Bacillus subtilis | 2B4M | Kd : 295000.0 nM | PDBBind | SHOW |
| Glycine betaine/proline betaine-binding periplasmic protein | P0AFM2 (PROX_ECOLI) | Escherichia coli | 1R9Q |
- |
- |
SHOW |
| Probable chemoreceptor (Methyl-accepting chemotaxis) transmembrane protein | Q92SH9 (Q92SH9_RHIME) | Rhizobium meliloti | 6D8V |
- |
- |
SHOW |