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Ligand · NCI

NCI · 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine

NCI, 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine (C33 H45 N5 O2, 543.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
NCI
Formula
C33 H45 N5 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

NCI in 4 structures; the first of them:

  • 3EQW · A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with… · NCI A29 · binds DT6, DT7, DT8, DG9, DG13, DG24
  • 3EUI · A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with… · NCI C58 · binds DT30, DT31, DT32, DG33, DG37, DG48
  • 3EQW · A bimolecular anti-parallel-stranded oxytricha nova telomeric quadruplex in complex with… · NCI A29 · binds DT6, DT7, DT8, DG9, DG13, DG24
  • 3EUI · A bimolecular anti-parallel-stranded oxytricha nova telomeric quadruplex in complex with… · NCI C58 · binds DT30, DT31, DT32, DG33, DG37, DG48

Residues it binds most

DG 4, DT 4 (residue and the binding sites it lines).

Found with

  • K · Potassium ion
  • NC5 · 3-[(2R)-2-ethylpiperidin-1-yl]-N-[6-({3-[(2S)-2-ethylpiperidin-1-yl]propanoyl}amino)acridin-3-yl]propanamide
  • SPM · Spermine

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