Ligand Download |
||
Ligand Name: 4-chloranyl-N-[2-(diethylamino)ethyl]benzenesulfonamide | ||
HET ID: B3W | PubChem: 208542 | |
DrugBank: - | ChEMBL: CHEMBL1624646 | |
Canonical SMILES: CCN(CCNS(=O)(=O)c1ccc(cc1)Cl)CC | ||
Standard InChI: InChI=1S/C12H19ClN2O2S/c1-3-15(4-2)10-9-14-18(16,17)12-7-5-11(13)6-8-12/h5-8,14H,3-4,9-10H2,1-2H3 | ||
Molecular Formula: C12H19ClN2O2S | Mol. Weight: 290.80945 | Heavy Atoms: 18 |
Charge: 0 | Is Chiral: False | logP: 3.4318 |
HBD: 1 | HBA: 4 | TPSA: 57.79 |
#Bonds: 18 | #Rotatable Bonds: 7 | Shape Complexity: 0.5 |
Stereocomplexity: 0.0 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Acetylcholinesterase | P21836 (ACES_MOUSE) | Mus musculus | 4B85 | IC50 : 88000.0 nM | PDBBind | SHOW |
Acetylcholinesterase | P21836 (ACES_MOUSE) | Mus musculus | 4B85 | IC50 : 88000.0 nM | BindingDB | SHOW |
Acetylcholinesterase | P21836 (ACES_MOUSE) | Mus musculus | 4B85 | IC50 : 88000.0 nM | Binding MOAD | SHOW |