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Ligand · MLW

MLW · 4-chloranyl-5~{H}-cyclohepta[b]indol-10-one

MLW, 4-chloranyl-5~{H}-cyclohepta[b]indol-10-one (C13 H8 Cl N O, 229.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
MLW
Formula
C13 H8 Cl N O
Class
ligand
Structures
2
PDB entries
1

Binding sites

MLW in 2 structures; the first of them:

  • 6T6A · Crystal structure of DYRK1A complexed with KuFal319 (compound 11) · MLW A507 · binds ILE165, GLY166, LYS167, PHE170, VAL173, ALA186, LYS188, VAL222 and 9 more
  • 6T6A · Crystal structure of DYRK1A complexed with KUFAL319 (compound 11) · MLW A507 · binds ILE165, PHE170, VAL173, ALA186, LYS188, PHE238, GLU239, LEU241 and 3 more

Residues it binds most

VAL 6, LEU 6, PHE 6, LYS 5, ALA 6, ASP 6, GLU 6, ILE 5, MET 4, GLY 3 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • PG4 · Tetraethylene glycol

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