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Ligand · 2XN

2XN · N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide

2XN, N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide (C20 H26 N6 O4 S3, 510.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
2XN
Formula
C20 H26 N6 O4 S3
Class
ligand
Structures
2
PDB entries
1

Binding sites

2XN in 2 structures; the first of them:

  • 4Q1F · Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 12R… · 2XN A302 · binds ILE30, GLU53, VAL55, LEU82, MET85, TYR86, PRO89, PHE96 and 12 more
  • 4Q1F · Human dck C4S-S74E mutant in complex with udp and the inhibitor 12R… · 2XN A302 · binds ILE30, GLU53, VAL55, LEU82, MET85, TYR86, PRO89, PHE96 and 12 more

Residues it binds most

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

Found with

  • UDP · Uridine-5'-diphosphate

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