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Ligand · 31J

31J · 7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2H-chromen-2-one

31J, 7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2H-chromen-2-one (C17 H22 O6, 322.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
31J
Formula
C17 H22 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

31J in 2 structures; the first of them:

  • 4PL3 · Crystal structure of murine IRE1 in complex with MKC9989 inhibitor · 31J A1001 · binds ASP885, LEU886, PHE889, TYR892, ASN906, LYS907, HIS910, GLU913 and 1 more
  • 4PL3 · Crystal structure of murine IRE1 in complex with MKC9989 inhibitor · 31J A1001 · binds ASP885, LEU886, PHE889, TYR892, ASN906, LYS907, HIS910, GLU913 and 1 more

Residues it binds most

LEU 4, ASN 4, ASP 4, GLU 4, HIS 4, LYS 4, PHE 4, TYR 4 (residue and the binding sites it lines).

Found with

  • ADP · Adenosine-5'-diphosphate
  • MG · Magnesium ion

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