Ligand
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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