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Ligand · 1VA

1VA · N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide

1VA, N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide (C20 H21 N3 O3, 351.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
1VA
Formula
C20 H21 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

1VA in 2 structures; the first of them:

  • 4L7L · Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0368 · 1VA A601 · binds ASP284, LEU287, VAL288, TRP383, HIS384, GLY385, THR386, ASN387 and 8 more
  • 4L7L · Human ARTD3 (PARP3) - catalytic domain in complex with inhibitor ME0368 · 1VA A601 · binds ASP284, LEU287, VAL288, TRP383, HIS384, GLY385, THR386, ASN387 and 8 more

Residues it binds most

TYR 2, VAL 2, ALA 2, ASN 2, ASP 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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