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Ligand · X88

X88 · 5-nitro-2-[(pyrazin-2-ylmethyl)amino]benzamide

X88, 5-nitro-2-[(pyrazin-2-ylmethyl)amino]benzamide (C12 H11 N5 O3, 273.2 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 binds most and…

Component
X88
Formula
C12 H11 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

X88 in 2 structures; the first of them:

  • 3R7E · CDK2 in complex with inhibitor KVR-1-67 · X88 A919 · binds ILE10, VAL18, ALA31, LYS33, VAL64, PHE80, GLU81, PHE82 and 5 more
  • 3R7E · CDK2 in complex with inhibitor kvr-1-67 · X88 A919 · binds ILE10, VAL18, ALA31, LYS33, VAL64, PHE80, GLU81, PHE82 and 5 more

Residues it binds most

LEU 2, PHE 2, VAL 2, ALA 2, ASP 2, GLN 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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