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Ligand · PKJ

PKJ · N-(1,3-benzodioxol-5-yl)-2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}acetamide

PKJ, N-(1,3-benzodioxol-5-yl)-2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}acetamide (C20 H16 N4 O3 S2, 424.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
PKJ
Formula
C20 H16 N4 O3 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

PKJ in 2 structures; the first of them:

  • 4PK5 · Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with Amg-1 · PKJ A502 · binds LEU124, VAL125, TYR126, CYS129, VAL130, PHE163, PHE164, SER167 and 11 more
  • 4PK5 · Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with amg-1 · PKJ A502 · binds LEU124, VAL125, TYR126, CYS129, VAL130, PHE163, PHE164, SER167 and 11 more

Residues it binds most

PHE 4, LEU 4, SER 4, VAL 4, ALA 4, ARG 4, CYS 4, GLN 4, GLY 4, HIS 4 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe

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