Ligand |
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Ligand Name: 2-(4-chlorophenoxy)-N-(3-{[2-(dimethylamino)ethyl]disulfanyl}propyl)-2-methylpropanamide | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB852 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CN(C)CCSSCCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 | ||
Standard InChI: InChI=1S/C17H27ClN2O2S2/c1-17(2,22-15-8-6-14(18)7-9-15)16(21)19-10-5-12-23-24-13-11-20(3)4/h6-9H,5,10-13H2,1-4H3,(H,19,21) | ||
Molecular Formula: C17H27ClN2O2S2 | Mol. Weight: 390.12024 | logP: 3.9467 |
HBD: 1 | HBA: 5 | |
#Rotatable Bonds: 11 | 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) | 6HMU | GE8 |
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