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Ligand · Q9B

Q9B · 8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018, 21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one

Q9B, 8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018, 21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one (C18 H19 N5 O, 321.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
Q9B
Formula
C18 H19 N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

Q9B in 2 structures; the first of them:

  • 6Z58 · Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003791 · Q9B A801 · binds ILE490, GLY491, GLU492, PHE495, VAL498, ALA509, LYS511, ILE557 and 11 more
  • 6Z58 · Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003791 · Q9B A801 · binds ILE490, GLY491, GLU492, PHE495, VAL498, ALA509, LYS511, PHE605 and 8 more

Residues it binds most

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

Found with

  • NA · Sodium ion
  • MPD · (4S)-2-methyl-2,4-pentanediol

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