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Ligand · DQS

DQS · 5-(1-tert-butyl-1H-pyrazol-4-yl)-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

DQS, 5-(1-tert-butyl-1H-pyrazol-4-yl)-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (C17 H20 N6 O, 324.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with…

Component
DQS
Formula
C17 H20 N6 O
Class
ligand
Structures
1
PDB entries
1

Binding sites

DQS in 1 structure; the first of them:

  • 6BH4 · Linked KDM5A jmj domain bound to the inhibitor 5-(1-(tert-butyl)-1H… · DQS A601 · binds ARG73, TYR409, GLY410, ALA411, ASP412, TYR472, SER478, SER479 and 7 more

Residues it binds most

ASN 1, HIS 1, SER 1, TYR 1, ALA 1, ARG 1, ASP 1, GLY 1, LYS 1, PHE 1 (residue and the binding sites it lines).

Found with

  • MN · Manganese (II) ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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