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Ligand · Q7Q

Q7Q · 6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23), 3(25),4,6,17,20(24),21-heptaen-10-one

Q7Q, 6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23), 3(25),4,6,17,20(24),21-heptaen-10-one (C22 H28 N6 O4, 440.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2…

Component
Q7Q
Formula
C22 H28 N6 O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

Q7Q in 4 structures; the first of them:

  • 6Z4Y · Crystal structure of Aurora A (STK6) in complex with macrocycle ODS2003208 · Q7Q A508 · binds LEU139, GLY140, LYS141, GLY142, VAL147, ALA160, LYS162, LEU164 and 14 more
  • 6Z56 · Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003208 · Q7Q A801 · binds ILE490, GLY491, GLU492, GLY493, GLY496, VAL498, ALA509, LYS511 and 15 more
  • 6Z4Y · Crystal structure of aurora a (STK6) in complex with macrocycle ODS2003208 · Q7Q A508 · binds LEU139, GLY140, LYS141, GLY142, VAL147, ALA160, LYS162, LEU178 and 13 more
  • 6Z56 · Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003208 · Q7Q A801 · binds ILE490, GLU492, GLY493, GLY496, VAL498, ALA509, LYS511, GLU535 and 11 more

Residues it binds most

LEU 4, GLY 4, GLU 4, ALA 4, ILE 2, LYS 4, PHE 4, TYR 4, VAL 4, ASN 2 (residue and the binding sites it lines).

Found with

  • CIT · Citric acid
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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