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Ligand · D5W

D5W · (2~{S},3~{S})-2-[[(2~{S})-2-[3,5-bis(chloranyl)phenyl]-2-(dimethylamino)ethanoyl]amino]-~{N}-[[2-(iminomethyl)pyrimidin-4-yl]methyl]-3-methyl-pentanamide

D5W, (2~{S},3~{S})-2-[[(2~{S})-2-[3,5-bis(chloranyl)phenyl]-2-(dimethylamino)ethanoyl]amino]-~{N}-[[2-(iminomethyl)pyrimidin-4-yl]methyl]-3-methyl-pentanamide (C22 H28 Cl2 N6 O2, 479.4 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
D5W
Formula
C22 H28 Cl2 N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

D5W in 2 structures; the first of them:

  • 6FDU · Structure of Chlamydia trachomatis effector protein Cdu1 bound to Compound 3 · D5W B501 · binds ALA165, ASP167, SER168, TRP247, MET262, LYS263, LEU265, ALA266 and 10 more
  • 6FDU · Structure of chlamydia trachomatis effector protein CDU1 bound to compound 3 · D5W B501 · binds ALA165, ASP167, SER168, TRP247, MET262, LYS263, LEU265, ALA266 and 10 more

Residues it binds most

SER 2, ALA 2, GLY 2, TRP 2, ASP 2, CYS 2, GLN 2, HIS 2, LEU 2, LYS 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion

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