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Ligand · 31K

31K · 2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenol

31K, 2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenol (C17 H19 N O3, 285.3 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
31K
Formula
C17 H19 N O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

31K in 2 structures; the first of them:

  • 4PL4 · Crystal structure of murine IRE1 in complex with OICR464 inhibitor · 31K A1001 · binds PHE889, TYR892, ASN906, LYS907, HIS910, GLU913
  • 4PL4 · Crystal structure of murine IRE1 in complex with OICR464 inhibitor · 31K A1001 · binds PHE889, TYR892, ASN906, LYS907, HIS910, GLU913

Residues it binds most

ASN 2, GLU 2, HIS 2, LYS 2, PHE 2, TYR 2 (residue and the binding sites it lines).

Found with

  • ADP · Adenosine-5'-diphosphate
  • PEU · 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56, 59,62,65,68,71,74,77,80-heptacosaoxadooctacontan-82-ol
  • MG · Magnesium ion

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