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Ligand · 5ME

5ME · 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1R)-1-(pyridin-2-yl)ethyl]propanamide

5ME, 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1R)-1-(pyridin-2-yl)ethyl]propanamide (C18 H18 N4 O2, 322.4 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…

Component
5ME
Formula
C18 H18 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

5ME in 2 structures; the first of them:

  • 4GV2 · Human ARTD3 (PARP3) - Catalytic domain in complex with inhibitor ME0354 · 5ME A601 · binds ASP284, LEU287, VAL288, ASP291, TRP383, HIS384, GLY385, VAL390 and 9 more
  • 4GV2 · Human ARTD3 (PARP3) - catalytic domain in complex with inhibitor ME0354 · 5ME A601 · binds ASP284, LEU287, VAL288, ASP291, TRP383, HIS384, GLY385, VAL390 and 9 more

Residues it binds most

ASP 2, TYR 2, VAL 2, ALA 2, ARG 2, GLU 2, GLY 2, HIS 2, LEU 2, LYS 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide

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