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Ligand · 793

793 · 3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

793, 3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione (C17 H15 N3 O2, 293.3 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…

Component
793
Formula
C17 H15 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

793 in 2 structures; the first of them:

  • 3FPM · Crystal Structure of a Squarate Inhibitor bound to MAPKAP Kinase-2 · 793 A1 · binds LEU70, GLY71, LEU72, GLY73, ASN75, GLY76, LYS77, VAL78 and 12 more
  • 3FPM · Crystal structure of a squarate inhibitor bound to mapkap kinase-2 · 793 A1 · binds LEU70, GLY71, LEU72, GLY73, ASN75, GLY76, LYS77, VAL78 and 12 more

Residues it binds most

LEU 2, GLY 2, ASN 2, GLU 2, LYS 2, VAL 2, ALA 2, ASP 2, CYS 2, MET 2 (residue and the binding sites it lines).

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