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Ligand · 2XJ

2XJ · 1-(5-(4-(((2,6-diaminopyrimidin-4-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)-2-methylpropan-2-ol

2XJ, 1-(5-(4-(((2,6-diaminopyrimidin-4-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)-2-methylpropan-2-ol (C22 H29 N5 O3 S2, 475.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
2XJ
Formula
C22 H29 N5 O3 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

2XJ in 2 structures; the first of them:

  • 4Q18 · Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 4… · 2XJ A301 · binds GLU53, VAL55, LEU82, MET85, TYR86, PRO89, PHE96, GLN97 and 8 more
  • 4Q18 · Human dck C4S-S74E mutant in complex with udp and the inhibitor 4 [1… · 2XJ A301 · binds GLU53, VAL55, LEU82, MET85, TYR86, PRO89, PHE96, GLN97 and 8 more

Residues it binds most

TYR 8, GLU 8, LEU 8, SER 8, ILE 4, PHE 4, PRO 8, ARG 6, ALA 4, ASP 4 (residue and the binding sites it lines).

Found with

  • UDP · Uridine-5'-diphosphate

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