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Ligand · X87

X87 · 4-[(3-aminopropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide

X87, 4-[(3-aminopropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide (C16 H20 N6 O3, 344.4 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…

Component
X87
Formula
C16 H20 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

X87 in 2 structures; the first of them:

  • 3R73 · CDK2 in complex with inhibitor KVR-1-164 · X87 A920 · binds ILE10, VAL18, ALA31, LYS33, VAL64, PHE80, GLU81, PHE82 and 6 more
  • 3R73 · CDK2 in complex with inhibitor kvr-1-164 · X87 A920 · binds ILE10, VAL18, ALA31, LYS33, VAL64, PHE80, GLU81, PHE82 and 6 more

Residues it binds most

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

Found with

  • EDO · 1,2-ethanediol

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