Ligand
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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