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Ligand · AJI

AJI · 3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide

AJI, 3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide (C19 H15 F N6 O S3, 458.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
AJI
Formula
C19 H15 F N6 O S3
Class
ligand
Structures
2
PDB entries
1

Binding sites

AJI in 2 structures; the first of them:

  • 3A0I · Human glucokinase in complex with a synthetic activator · AJI X501 · binds TYR61, VAL62, ARG63, SER64, PRO66, GLU96, GLY97, GLN98 and 13 more
  • 3A0I · Human glucokinase in complex with a synthetic activator · AJI X501 · binds TYR61, VAL62, ARG63, SER64, PRO66, GLU96, GLY97, GLN98 and 13 more

Residues it binds most

TYR 2, VAL 2, GLU 2, ILE 2, MET 2, ALA 2, ARG 2, CYS 2, GLN 2, GLY 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • GLC · alpha-D-glucopyranose

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