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Ligand · H61

H61 · 2-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid

H61, 2-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid (C22 H22 N4 O2 S, 406.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
H61
Formula
C22 H22 N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

H61 in 2 structures; the first of them:

  • 6DQF · LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N68 i.e.… · H61 A601 · binds ARG73, TYR409, ASP412, TRP470, TYR472, PHE480, HIS483, GLU485 and 5 more
  • 6DQF · Linked KDM5A jmj domain bound to the inhibitor N68 I.E. 2-(1-(2… · H61 A601 · binds ARG73, TYR409, ASP412, TRP470, TYR472, PHE480, HIS483, ASN493 and 4 more

Residues it binds most

HIS 2, TRP 2, TYR 2, ARG 2, ASN 2, ASP 2, LEU 2, LYS 2, PHE 2, GLU 1 (residue and the binding sites it lines).

Found with

  • MN · Manganese (II) ion

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