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Ligand · X76

X76 · 2-[(pyridin-3-ylmethyl)amino]benzamide

X76, 2-[(pyridin-3-ylmethyl)amino]benzamide (C13 H13 N3 O, 227.3 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 the ligands…

Component
X76
Formula
C13 H13 N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

X76 in 2 structures; the first of them:

  • 3R1Y · CDK2 in complex with inhibitor KVR-1-134 · X76 A488 · binds GLU8, ILE10, VAL18, ALA31, VAL64, PHE80, GLU81, PHE82 and 6 more
  • 3R1Y · CDK2 in complex with inhibitor kvr-1-134 · X76 A488 · binds GLU8, ILE10, VAL18, ALA31, VAL64, PHE80, GLU81, PHE82 and 6 more

Residues it binds most

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

Found with

  • EDO · 1,2-ethanediol

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