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Ligand · H6J

H6J · N-{6-[4-(ethenylsulfonyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine

H6J, N-{6-[4-(ethenylsulfonyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine (C19 H24 N6 O4 S, 432.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
H6J
Formula
C19 H24 N6 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

H6J in 2 structures; the first of them:

  • 6DQ6 · LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N44 i.e.… · H6J A601 · binds ARG73, GLN75, TYR409, ALA411, ASP412, TYR472, SER479, PHE480 and 10 more
  • 6DQ6 · Linked KDM5A jmj domain bound to the inhibitor N44 I.E. 3-((2… · H6J A601 · binds ARG73, TYR409, ALA411, ASP412, TYR472, SER479, PHE480, CYS481 and 8 more

Residues it binds most

ALA 2, ASP 2, TYR 2, GLN 2, ARG 2, ASN 2, CYS 2, GLU 2, HIS 2, LEU 2 (residue and the binding sites it lines).

Found with

  • MN · Manganese (II) ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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