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Ligand · CQA

CQA · 4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol

CQA, 4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol (C20 H22 Cl N3 O, 355.9 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component
CQA
Formula
C20 H22 Cl N3 O
Class
ligand
Structures
6
PDB entries
3

Binding sites

CQA in 6 structures; the first of them:

  • 2AOU · Histamine Methyltransferase Complexed with the Antimalarial Drug Amodiaquine · CQA A402 · binds TYR15, VAL16, PHE19, PHE22, GLU28, GLN94, GLN143, TYR146 and 7 more
  • 4FGZ · Crystal Structure of Phosphoethanolamine Methyltransferase from Plasmodium falciparum in… · CQA A301 · binds PHE29, ILE30, PHE31, GLY32, GLY39, GLY40, GLU42, ALA43 and 5 more
  • 4MWZ · Crystal structure of N-methyl transferase from Plasmodium vivax complexed with S-adenosyl… · CQA B303 · binds PHE26, ILE27, PHE28, GLY29, GLY36, GLY37, ILE39, GLU209 and 4 more
  • 2AOU · Histamine methyltransferase complexed with the antimalarial drug amodiaquine · CQA A402 · binds TYR15, VAL16, PHE19, PHE22, GLU28, GLN94, GLN143, TYR146 and 7 more
  • 4FGZ · Crystal structure of phosphoethanolamine methyltransferase from plasmodium falciparum in… · CQA A301 · binds PHE29, ILE30, PHE31, GLY32, GLY39, GLY40, GLU42, ALA43 and 5 more
  • 4MWZ · Crystal structure of N-methyl transferase from plasmodium vivax complexed with S-adenosyl… · CQA B303 · binds PHE26, ILE27, PHE28, GLY29, GLY36, GLY37, ILE39, GLU209 and 4 more

Residues it binds most

GLU 18, PHE 18, TYR 16, GLY 14, ARG 8, VAL 10, SER 8, TRP 8, ASP 8, GLN 6 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • SAH · S-adenosyl-L-homocysteine
  • SAM · S-adenosylmethionine
  • BME · Beta-mercaptoethanol

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