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Ligand · 3BQ

3BQ · 1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea

3BQ, 1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea (C19 H26 N4 O, 326.4 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…

Component
3BQ
Formula
C19 H26 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

3BQ in 2 structures; the first of them:

  • 4QQN · Protein arginine methyltransferase 3 in complex with compound MTV044246 · 3BQ A601 · binds VAL387, ASP389, LYS392, HIS393, ARG396, VAL420, GLU422, LEU424 and 4 more
  • 4QQN · Protein arginine methyltransferase 3 in complex with compound MTV044246 · 3BQ A601 · binds VAL387, ASP389, LYS392, HIS393, ARG396, VAL420, GLU422, LEU424 and 4 more

Residues it binds most

VAL 2, LEU 2, ALA 2, ARG 2, ASP 2, GLU 2, HIS 2, LYS 2, THR 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • UNX · Unknown atom or ion
  • GOL · Glycerol

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