Ligand
Ligand Name:   N-(2-{2-[(6-chlorohexyl)oxy]ethoxy}ethyl)-2-[N-methyl-7-(methylamino)-2,1,3-benzoxadiazole-4-sulfonamido]acetamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB437 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CNc1ccc(c(c12)non2)S(=O)(=O)N(C)CC(=O)NCCOCCOCCCCCCCl
Standard InChI:   InChI=1S/C20H32ClN5O6S/c1-22-16-7-8-17(20-19(16)24-32-25-20)33(28,29)26(2)15-18(27)23-10-12-31-14-13-30-11-6-4-3-5-9-21/h7-8,22H,3-6,9-15H2,1-2H3,(H,23,27)
Molecular Formula:   C20H32ClN5O6S Mol. Weight:   505.17618 logP:   1.8336
HBD:   2 HBA:   9
#Rotatable Bonds:   17 TPSA:   135.89

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Haloalkane dehalogenase P0A3G2 (DHAA_RHORH) Rhodococcus rhodochrous 5VNP 9FM
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