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Ligand · 2Y8

2Y8 · (R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine

2Y8, (R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine (C19 H22 F N5 O2 S2, 435.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
2Y8
Formula
C19 H22 F N5 O2 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

2Y8 in 2 structures; the first of them:

  • 4Q1E · Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 10… · 2Y8 A301 · binds ILE30, GLU53, VAL55, LEU82, MET85, TYR86, PRO89, PHE96 and 11 more
  • 4Q1E · Human dck C4S-S74E mutant in complex with udp and the inhibitor 10 {2… · 2Y8 A301 · binds ILE30, GLU53, VAL55, LEU82, MET85, TYR86, PRO89, PHE96 and 11 more

Residues it binds most

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

Found with

  • 2Y7 · (S)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine
  • UDP · Uridine-5'-diphosphate

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