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Ligand · Q18

Q18 · (2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3(2H)-one

Q18, (2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3(2H)-one (C24 H24 N2 O3, 388.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
Q18
Formula
C24 H24 N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

Q18 in 2 structures; the first of them:

  • 3UMX · Crystal structure of Pim1 kinase in complex with inhibitor… · Q18 A400 · binds LEU44, PHE49, VAL52, ALA65, LYS67, ILE104, LEU120, GLU121 and 6 more
  • 3UMX · Crystal structure of PIM1 kinase in complex with inhibitor (Z)-2-[(1H… · Q18 A400 · binds LEU44, PHE49, VAL52, ALA65, LYS67, ILE104, LEU120, GLU121 and 6 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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