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Ligand · 0KQ

0KQ · (2E,5R)-5-[3-(5-chloropyridin-3-yl)phenyl]-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one

0KQ, (2E,5R)-5-[3-(5-chloropyridin-3-yl)phenyl]-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one (C18 H17 Cl N4 O, 340.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
0KQ
Formula
C18 H17 Cl N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

0KQ in 2 structures; the first of them:

  • 4DJX · Structure of BACE Bound to 5-(3-(5-chloropyridin-3-yl)phenyl)-5-cyclopropyl-2-imino-3-meth… · 0KQ A501 · binds SER71, GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96 and 10 more
  • 4DJX · Structure of bace bound to 5-(3-(5-chloropyridin-3-YL)PHENYL)-5… · 0KQ A501 · binds SER71, GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96 and 10 more

Residues it binds most

GLY 4, SER 4, ASP 4, ILE 4, THR 4, GLN 4, LEU 4, PHE 4, TRP 4, TYR 4 (residue and the binding sites it lines).

Found with

  • TLA · L(+)-tartaric acid

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