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Ligand · 4H5

4H5 · (1-chloro-7-methoxy-9H-beta-carbolin-9-yl)acetonitrile

4H5, (1-chloro-7-methoxy-9H-beta-carbolin-9-yl)acetonitrile (C14 H10 Cl N3 O, 271.7 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…

Component
4H5
Formula
C14 H10 Cl N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

4H5 in 2 structures; the first of them:

  • 4YU2 · Crystal structure of DYRK1A with harmine-derivatized AnnH-75 inhibitor · 4H5 A502 · binds ILE165, GLY166, PHE170, VAL173, ALA186, LYS188, GLU203, VAL222 and 8 more
  • 4YU2 · Crystal structure of DYRK1A with harmine-derivatized annh-75 inhibitor · 4H5 A502 · binds ILE165, GLY166, PHE170, VAL173, ALA186, LYS188, GLU203, VAL222 and 8 more

Residues it binds most

VAL 8, GLU 8, LEU 8, PHE 8, LYS 8, ALA 8, ASP 8, GLY 8, ILE 8, MET 8 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • PG4 · Tetraethylene glycol

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