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Ligand · HVH

HVH · ~{N}-[3-[[5-cyclopropyl-2-[(2-methyl-3,4-dihydro-1~{H}-isoquinolin-6-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide

HVH, ~{N}-[3-[[5-cyclopropyl-2-[(2-methyl-3,4-dihydro-1~{H}-isoquinolin-6-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide (C25 H34 N6 O, 434.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
HVH
Formula
C25 H34 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

HVH in 2 structures; the first of them:

  • 6QAV · Crystal structure of ULK2 in complexed with MRT68921 · HVH A301 · binds VAL15, GLY16, HIS17, GLY18, ALA21, VAL23, ALA37, LYS39 and 13 more
  • 6QAV · Crystal structure of ULK2 in complexed with MRT68921 · HVH A301 · binds VAL15, GLY16, HIS17, GLY18, ALA21, VAL23, ALA37, LYS39 and 12 more

Residues it binds most

ASP 8, GLY 8, VAL 8, ALA 8, CYS 8, GLN 8, GLU 8, HIS 8, LEU 8, LYS 8 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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