Ligand |
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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 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| PDBBind | Kd : 102000 nM |