GL1X · GenesisL1 explorer

Ligand · 5ML

5ML · 3-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-quinolin-3-yl-phenyl]benzamide

5ML, 3-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-quinolin-3-yl-phenyl]benzamide (C28 H28 N4 O, 436.6 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
5ML
Formula
C28 H28 N4 O
Class
ligand
Structures
1
PDB entries
1

Binding sites

5ML in 1 structure; the first of them:

  • 5EAL · Crystal structure of human WDR5 in complex with compound 9h · 5ML A401 · binds ALA47, SER49, SER50, ALA65, GLY89, ILE90, SER91, ASP92 and 8 more

Residues it binds most

SER 2, ILE 2, PHE 2, ALA 2, ASP 2, CYS 2, GLY 2, LEU 2, PRO 2, TYR 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • UNX · Unknown atom or ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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