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Ligand · 4YN

4YN · (2R,5R)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium

4YN, (2R,5R)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium (C25 H35 N4 O2 +1, 423.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
4YN
Formula
C25 H35 N4 O2 +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

4YN in 2 structures; the first of them:

  • 5C83 · Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 21 · 4YN A402 · binds MET248, LEU292, LYS297, VAL298, LYS299, GLY306, LEU307, THR308 and 7 more
  • 5C83 · Fragment-based drug discovery targeting inhibitor of apoptosis proteins: compound 21 · 4YN A402 · binds MET248, LEU292, LYS297, VAL298, LYS299, GLY306, LEU307, THR308 and 7 more

Residues it binds most

LYS 2, LEU 2, TRP 2, ASP 2, GLN 2, GLU 2, GLY 2, MET 2, THR 2, TYR 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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