Ligand Download |
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Ligand Name: (dimethyl-lambda~4~-sulfanyl)acetic acid | ||
HET ID: 313 | PubChem: 425293 | |
DrugBank: - | ChEMBL: CHEMBL1230014 | |
Canonical SMILES: C[S](CC(=O)O)C | ||
Standard InChI: InChI=1S/C4H9O2S/c1-7(2)3-4(5)6/h3H2,1-2H3,(H,5,6) | ||
Molecular Formula: C4H9O2S | Mol. Weight: 121.17806 | Heavy Atoms: 7 |
Charge: 0 | Is Chiral: False | logP: 0.5995 |
HBD: 1 | HBA: 2 | TPSA: 62.6 |
#Bonds: 6 | #Rotatable Bonds: 2 | Shape Complexity: 0.75 |
Stereocomplexity: 0.0 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Glycine betaine-binding protein OpuAC | P46922 (OPUAC_BACSU) | Bacillus subtilis | 3CHG | Kd : 102000.0 nM | PDBBind | SHOW |