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Ligand · 1NN

1NN · 2-[({5-ethyl-2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine

1NN, 2-[({5-ethyl-2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]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
1NN
Formula
C19 H22 F N5 O2 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

1NN in 2 structures; the first of them:

  • 4JLM · Human dCK C4S-S74E mutant in complex with UDP and the F2.3.1 inhibitor… · 1NN A301 · binds GLU53, VAL55, LEU82, MET85, TYR86, PRO89, PHE96, GLN97 and 9 more
  • 4JLM · Human dck C4S-S74E mutant in complex with udp and the F2.3.1 inhibitor… · 1NN A301 · binds GLU53, VAL55, LEU82, MET85, TYR86, PRO89, PHE96, GLN97 and 9 more

Residues it binds most

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

Found with

  • UDP · Uridine-5'-diphosphate

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