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Ligand · JST

JST · But-3-enyl-[5-(4-chloro-phenyl)-3,6-dihydro-[1,3,4]thiadiazin-2-ylidene]-amine

JST, But-3-enyl-[5-(4-chloro-phenyl)-3,6-dihydro-[1,3,4]thiadiazin-2-ylidene]-amine (C13 H14 Cl N3 S, 279.8 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
JST
Formula
C13 H14 Cl N3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

JST in 2 structures; the first of them:

  • 1JH1 · Crystal Structure of MMP-8 complexed with a 6H-1,3,4-thiadiazine derived inhibitor · JST A1000 · binds ALA161, HIS162, ALA163, PHE164, HIS197, GLU198, HIS201, HIS207 and 1 more
  • 1JH1 · Crystal structure of mmp-8 complexed with a 6H-1,3,4- thiadiazine derived inhibitor · JST A1000 · binds ALA161, HIS162, ALA163, PHE164, HIS197, GLU198, HIS201, HIS207 and 1 more

Residues it binds most

HIS 2, ALA 2, GLU 2, PHE 2, PRO 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ZN · Zinc ion

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