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Ligand · 9CJ

9CJ · 2-[5-[2-(3-methoxyphenyl)ethanoylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid

9CJ, 2-[5-[2-(3-methoxyphenyl)ethanoylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid (C21 H18 N2 O5, 378.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
9CJ
Formula
C21 H18 N2 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

9CJ in 2 structures; the first of them:

  • 5A80 · Crystal structure of human JMJD2A in complex with compound 40 · 9CJ A1357 · binds ASN86, TYR132, ASP135, TYR177, PHE185, HIS188, GLU190, ASN198 and 6 more
  • 5A80 · Crystal structure of human JMJD2A in complex with compound 40 · 9CJ A1357 · binds ASN86, TYR132, ASP135, TYR177, PHE185, HIS188, GLU190, ASN198 and 6 more

Residues it binds most

HIS 4, ASN 4, LYS 4, TYR 4, ASP 4, GLU 4, PHE 4, TRP 4, ALA 2, ARG 2 (residue and the binding sites it lines).

Found with

  • MN · Manganese (II) ion
  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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