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Ligand · N2E

N2E · ~{N}-[4-fluoranyl-3-[6-(3-methylpyridin-2-yl)-[1,2, 4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N2E, ~{N}-[4-fluoranyl-3-[6-(3-methylpyridin-2-yl)-[1,2, 4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (C23 H18 F N7 O2, 443.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB…

Component
N2E
Formula
C23 H18 F N7 O2
Class
ligand
Structures
3
PDB entries
2

Binding sites

N2E in 3 structures; the first of them:

  • 6TCZ · Leishmania tarentolae proteasome 20S subunit complexed with LXE408 · N2E L401 · binds PHE24, ILE27, ILE29, THR100, SER120, GLY122, GLY146, SER195 and 11 more
  • 6TCZ · Leishmania tarentolae proteasome 20S subunit complexed with LXE408 · N2E L401 · binds PHE24, ILE29, THR100, SER120, GLY146, SER195, MET196, GLY197 and 9 more
  • 6TD5 · Leishmania tarentolae proteasome 20S subunit complexed with LXE408 and bortezomib · N2E L402 · binds PHE24, ILE29, THR100, SER120, ALA145, GLY146, SER195, GLY197 and 9 more

Residues it binds most

SER 6, GLY 6, TYR 6, PHE 6, ILE 6, THR 6, VAL 6, MET 5, ASP 4, ALA 2 (residue and the binding sites it lines).

Found with

  • BO2 · N-[(1R)-1-(dihydroxyboryl)-3-methylbutyl]-N-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide

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