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Ligand · JA9

JA9 · 6-[2,3-bis(chloranyl)phenoxy]-5-chloranyl-2-methylsulfanyl-1H-benzimidazole

JA9, 6-[2,3-bis(chloranyl)phenoxy]-5-chloranyl-2-methylsulfanyl-1H-benzimidazole (C14 H9 Cl3 N2 O S, 359.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
JA9
Formula
C14 H9 Cl3 N2 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

JA9 in 2 structures; the first of them:

  • 7ERI · Crystal structure of V30M-TTR in complex with triclabendazole · JA9 A201 · binds LYS15, LEU17, ALA108, ALA109, LEU110, SER117, THR118, THR119
  • 7ERI · Crystal structure of V30M-ttr in complex with triclabendazole · JA9 A201 · binds LYS15, LEU17, ALA108, ALA109, LEU110, SER117, THR118, THR119

Residues it binds most

LEU 4, THR 4, ALA 4, LYS 4, SER 4, VAL 2 (residue and the binding sites it lines).

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