GL1X · GenesisL1 explorer

Ligand · Q8K

Q8K · 11-cyclopropyl-14-(2-hydroxyethyl)-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21), 2(23),3,5,15(22),16,19-heptaen-7-one

Q8K, 11-cyclopropyl-14-(2-hydroxyethyl)-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21), 2(23),3,5,15(22),16,19-heptaen-7-one (C22 H24 N6 O2, 404.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
Q8K
Formula
C22 H24 N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

Q8K in 2 structures; the first of them:

  • 6Z5E · Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004093 · Q8K A806 · binds ILE490, GLY491, GLU492, PHE495, VAL498, ALA509, LYS511, GLU535 and 13 more
  • 6Z5E · Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004093 · Q8K A806 · binds ILE490, GLY491, GLU492, PHE495, ALA509, LYS511, ILE557, PHE605 and 9 more

Residues it binds most

ILE 2, GLY 2, PHE 2, GLU 2, ASP 2, ALA 2, LEU 2, LYS 2, ASN 1, GLN 1 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • DMS · Dimethyl sulfoxide
  • MPD · (4S)-2-methyl-2,4-pentanediol
  • SIN · Succinic acid

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