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Ligand · 2HB

2HB · N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl) methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl) cyclopropanecarboxamide

2HB, N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl) methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl) cyclopropanecarboxamide (C21 H23 N5 O3 S, 425.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding…

Component
2HB
Formula
C21 H23 N5 O3 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

2HB in 1 structure; the first of them:

  • 5UT5 · JAK2 JH2 in complex with GLPG0634 · 2HB A905 · binds LEU551, GLN553, ILE559, LEU579, GLN626, GLU627, PHE628, VAL629 and 7 more

Residues it binds most

LEU 1, GLN 1, LYS 1, PHE 1, GLU 1, GLY 1, ILE 1, SER 1, THR 1, VAL 1 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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