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Ligand · JWN

JWN · 4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-~{N}-(6-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzamide

JWN, 4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-~{N}-(6-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzamide (C28 H30 N6 O2, 482.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries).…

Component
JWN
Formula
C28 H30 N6 O2
Class
ligand
Structures
2
PDB entries
2

Binding sites

JWN in 2 structures; the first of them:

  • 6RAA · CLK1 kinase domain with bound imidazopyridin inhibitor TP003 · JWN A501 · binds ASP165, THR166, LEU167, VAL175, ALA189, LYS191, GLU206, PHE241 and 10 more
  • 6RCT · Crystal structure of CLK3 in complex with T3-clk · JWN A501 · binds ASN161, LEU162, ALA184, LYS186, GLU201, VAL220, PHE236, GLU237 and 6 more

Residues it binds most

LEU 3, GLU 3, LYS 3, ASP 3, VAL 3, ALA 3, GLY 3, PHE 3, ASN 2, SER 1 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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