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Ligand · 0SX

0SX · 8-chloro-2-[(2S)-pyrrolidin-2-yl][1]benzofuro[3,2-d]pyrimidin-4(3H)-one

0SX, 8-chloro-2-[(2S)-pyrrolidin-2-yl][1]benzofuro[3,2-d]pyrimidin-4(3H)-one (C14 H12 Cl N3 O2, 289.7 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
0SX
Formula
C14 H12 Cl N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

0SX in 2 structures; the first of them:

  • 6YA6 · Minimal construct of Cdc7-Dbf4 bound to XL413 · 0SX A601 · binds ILE64, GLY65, GLU66, GLY67, SER70, VAL72, ALA88, LYS90 and 12 more
  • 6YA6 · Minimal construct of CDC7-DBF4 bound to XL413 · 0SX A601 · binds GLY65, GLU66, GLY67, SER70, VAL72, ALA88, LYS90, MET118 and 9 more

Residues it binds most

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

Found with

  • ZN · Zinc ion
  • BO3 · Boric acid
  • CL · Chloride ion
  • IMD · Imidazole
  • PEG · Di(hydroxyethyl)ether

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