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Ligand · X85

X85 · 4-{[3-(morpholin-4-yl)propyl]amino}-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide

X85, 4-{[3-(morpholin-4-yl)propyl]amino}-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide (C20 H26 N6 O4, 414.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
X85
Formula
C20 H26 N6 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

X85 in 2 structures; the first of them:

  • 3RAI · CDK2 in complex with inhibitor KVR-1-160 · X85 A923 · binds ILE10, VAL18, ALA31, LYS33, VAL64, PHE80, GLU81, PHE82 and 8 more
  • 3RAI · CDK2 in complex with inhibitor kvr-1-160 · X85 A923 · binds ILE10, VAL18, ALA31, LYS33, VAL64, PHE80, GLU81, PHE82 and 8 more

Residues it binds most

LYS 2, GLN 2, LEU 2, PHE 2, VAL 2, ALA 2, ASP 2, GLU 2, HIS 2, ILE 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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