Ligand |
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Ligand Name: 2-(4-chlorophenoxy)-N-(2-{[2-(dimethylamino)ethyl]disulfanyl}ethyl)-2-methylpropanamide | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB853 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CN(C)CCSSCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 | ||
Standard InChI: InChI=1S/C16H25ClN2O2S2/c1-16(2,21-14-7-5-13(17)6-8-14)15(20)18-9-11-22-23-12-10-19(3)4/h5-8H,9-12H2,1-4H3,(H,18,20) | ||
Molecular Formula: C16H25ClN2O2S2 | Mol. Weight: 376.10458 | logP: 3.5566 |
HBD: 1 | HBA: 5 | |
#Rotatable Bonds: 10 | TPSA: 41.57 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
14-3-3 protein sigma | P31947 (1433S_HUMAN) | Homo sapiens (Human) | 6HMT | GEH |
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