Ligand
Ligand Name:   2-(3,4-dichlorophenyl)-N-(2-{[2-(dimethylamino)ethyl]disulfanyl}ethyl)acetamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB856 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   C[NH+](C)CCSSCCNC(=O)Cc1ccc(Cl)c(Cl)c1
Standard InChI:   InChI=1S/C14H20Cl2N2OS2/c1-18(2)6-8-21-20-7-5-17-14(19)10-11-3-4-12(15)13(16)9-11/h3-4,9H,5-8,10H2,1-2H3,(H,17,19)/p+1
Molecular Formula:   C14H21Cl2N2OS2+ Mol. Weight:   367.0467 logP:   2.178
HBD:   2 HBA:   3
#Rotatable Bonds:   9 TPSA:   33.54

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) 6HN2 GF8
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