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Ligand · 3YT

3YT · 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide

3YT, 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide (C19 H23 N9 O, 393.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with…

Component
3YT
Formula
C19 H23 N9 O
Class
ligand
Structures
3
PDB entries
3

Binding sites

3YT in 3 structures; the first of them:

  • 8UCT · Crystal structure of TcPINK1 in complex with PRT · 3YT A604 · binds ILE168, ALA169, LYS170, VAL176, ALA194, LYS196, MET294, LYS295 and 10 more
  • 8X5K · The Crystal Structure of SYK from Biortus. · 3YT A701 · binds LEU377, GLY378, SER379, PHE382, VAL385, ALA400, LYS402, VAL433 and 11 more
  • 5UT2 · JAK2 JH2 in complex with PRT062607 · 3YT A903 · binds LEU551, GLY552, GLN553, ILE559, LEU579, GLU627, PHE628, VAL629 and 4 more

Residues it binds most

LEU 3, LYS 3, ALA 2, ASP 2, GLY 2, SER 3, VAL 3, ASN 2, MET 2, ARG 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • ACT · Acetate ion
  • DTT · 2,3-dihydroxy-1,4-dithiobutane
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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