Ligand |
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Ligand Name: 2-chloro-N-(4-chloro-3-(N-(2-methoxyethyl)-N-methylsulfamoyl)phenyl)acetamide | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1192 | PubChem: 138857439 | |
Synonym(s):
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DrugBank: - | ChEMBL: CHEMBL4458365 | |
Canonical SMILES: COCCN(C)S(=O)(=O)c1c(Cl)ccc(c1)NC(=O)CCl | ||
Standard InChI: InChI=1S/C12H16Cl2N2O4S/c1-16(5-6-20-2)21(18,19)11-7-9(3-4-10(11)14)15-12(17)8-13/h3-4,7H,5-6,8H2,1-2H3,(H,15,17) | ||
Molecular Formula: C12H16Cl2N2O4S | Mol. Weight: 354.02078 | logP: 1.7842 |
HBD: 1 | HBA: 4 | |
#Rotatable Bonds: 7 | TPSA: 75.71 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Glutathione S-transferase omega-1 | P78417 (GSTO1_HUMAN) | Homo sapiens (Human) | 6PNN | OR7 |
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