GL1X · GenesisL1 explorer

Ligand · KWJ

KWJ · (7R)-7-methyl-2-[(3-oxo-2,3-dihydro-1H-indazol-6-yl) amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one

KWJ, (7R)-7-methyl-2-[(3-oxo-2,3-dihydro-1H-indazol-6-yl) amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one (C20 H17 N7 O2, 387.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
KWJ
Formula
C20 H17 N7 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

KWJ in 2 structures; the first of them:

  • 6NPN · Crystal Structure of the Human vaccinia-related kinase bound to a… · KWJ A401 · binds ILE43, PHE48, ILE51, LEU53, VAL69, LYS71, GLU83, TYR87 and 11 more
  • 6NPN · Crystal structure of the human vaccinia-related kinase bound to a N,N… · KWJ A401 · binds ILE43, PHE48, LEU53, VAL69, LYS71, GLU83, TYR87, MET131 and 7 more

Residues it binds most

ASP 8, VAL 8, LEU 8, ILE 7, PHE 8, TYR 8, MET 8, ARG 8, GLU 8, GLY 8 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether

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