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Ligand · 2XL

2XL · 5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenol

2XL, 5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenol (C18 H21 N5 O2 S2, 403.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
2XL
Formula
C18 H21 N5 O2 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

2XL in 2 structures; the first of them:

  • 4Q19 · Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 5… · 2XL A301 · binds ILE30, GLU53, VAL55, LEU82, MET85, TYR86, PRO89, PHE96 and 8 more
  • 4Q19 · Human dck C4S-S74E mutant in complex with udp and the inhibitor 5 {5… · 2XL A301 · binds ILE30, GLU53, VAL55, LEU82, MET85, TYR86, PRO89, PHE96 and 8 more

Residues it binds most

ARG 4, LEU 4, PHE 4, TYR 4, GLU 4, ALA 4, ASP 4, GLN 4, ILE 4, MET 4 (residue and the binding sites it lines).

Found with

  • UDP · Uridine-5'-diphosphate

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