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Ligand · RTJ

RTJ · (7R)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one

RTJ, (7R)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one (C20 H19 F2 N5 O2, 399.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
RTJ
Formula
C20 H19 F2 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

RTJ in 2 structures; the first of them:

  • 6VXU · Structure of Human Vaccinia-related Kinase 1 (VRK1) bound to ACH471 · RTJ A401 · binds ILE43, PHE48, ILE51, VAL69, LYS71, GLU83, TYR87, PRO111 and 10 more
  • 6VXU · Structure of human vaccinia-related kinase 1 (VRK1) bound to ACH471 · RTJ A401 · binds ILE43, PHE48, VAL69, LYS71, GLU83, TYR87, PRO111, MET131 and 6 more

Residues it binds most

ASP 6, ILE 6, VAL 6, LEU 6, PHE 6, ARG 6, GLY 6, LYS 6, MET 6, PRO 6 (residue and the binding sites it lines).

Found with

  • VBD · (7S)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one
  • SO4 · Sulfate ion
  • GOL · Glycerol

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