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Ligand · A9I

A9I · Altiratinib

A9I, Altiratinib (C26 H21 F3 N4 O4, 510.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
A9I
Formula
C26 H21 F3 N4 O4
Class
ligand
Structures
1
PDB entries
1

Binding sites

A9I in 1 structure; the first of them:

  • 7Q4A · Toxoplasma gondii PRP4K kinase domain (L715F) bound to altiratinib · A9I A401 · binds ILE42, VAL50, ALA63, LYS65, GLU80, LEU84, LEU87, ILE98 and 13 more

Residues it binds most

LEU 2, VAL 2, GLU 2, ILE 2, PHE 2, TRP 2, ALA 2, ASP 2, CYS 2, HIS 2 (residue and the binding sites it lines).

Found with

  • SCN · Thiocyanate ion
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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