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Ligand · XTQ

XTQ · 2-[(2~{R})-1-azanyl-4-methyl-pentan-2-yl]-5-pyridin-3-yl-isoquinolin-1-one

XTQ, 2-[(2~{R})-1-azanyl-4-methyl-pentan-2-yl]-5-pyridin-3-yl-isoquinolin-1-one (C20 H23 N3 O, 321.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
XTQ
Formula
C20 H23 N3 O
Class
ligand
Structures
1
PDB entries
1

Binding sites

XTQ in 1 structure; the first of them:

  • 8R3U · Crystal structure of DHPS in complex with an inhibitor · XTQ AAA401 · binds THR237, ASP238, GLY239, ASP243, PHE100, VAL129, PHE232, PRO234 and 11 more

Residues it binds most

ASP 4, ILE 4, VAL 4, PHE 4, ALA 4, ARG 4, ASN 4, GLY 4, LEU 4, PRO 4 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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