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Ligand · Q8W

Q8W · 10-(2-morpholin-4-ylethyl)-7-oxa-10,13,17,18,21-pentazatetracyclo[12.5.2.12,6.017,20]docosa-1(20), 2(22),3,5,14(21),15,18-heptaene

Q8W, 10-(2-morpholin-4-ylethyl)-7-oxa-10,13,17,18,21-pentazatetracyclo[12.5.2.12,6.017,20]docosa-1(20), 2(22),3,5,14(21),15,18-heptaene (C22 H26 N6 O2, 406.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
Q8W
Formula
C22 H26 N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

Q8W in 2 structures; the first of them:

  • 6Z57 · Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004078 · Q8W A801 · binds ILE490, GLY491, GLU492, GLY493, PHE495, VAL498, ALA509, LYS511 and 10 more
  • 6Z57 · Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004078 · Q8W A801 · binds ILE490, GLU492, PHE495, VAL498, ALA509, LYS511, ILE557, PHE605 and 7 more

Residues it binds most

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

Found with

  • NA · Sodium ion
  • DMS · Dimethyl sulfoxide
  • MPD · (4S)-2-methyl-2,4-pentanediol
  • MRD · (4R)-2-methylpentane-2,4-diol

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