Ligand
Ligand Name:   N-(6-chlorohexyl)-2-[N-methyl-7-(dimethylamino)-2,1,3-benzothiadiazole-4-sulfonamido]acetamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB403 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CN(C)c1ccc(c(c12)nsn2)S(=O)(=O)N(C)CC(=O)NCCCCCCCl
Standard InChI:   InChI=1S/C17H26ClN5O3S2/c1-22(2)13-8-9-14(17-16(13)20-27-21-17)28(25,26)23(3)12-15(24)19-11-7-5-4-6-10-18/h8-9H,4-7,10-12H2,1-3H3,(H,19,24)
Molecular Formula:   C17H26ClN5O3S2 Mol. Weight:   447.11655 logP:   2.2932
HBD:   1 HBA:   7
#Rotatable Bonds:   11 TPSA:   95.5

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 5UXZ 8PM
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