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Ligand · 0K9

0K9 · (2R)-N-{(2S,3R)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamide

0K9, (2R)-N-{(2S,3R)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamide (C33 H44 N4 O4 S, 592.8 g/mol), in the…

Component
0K9
Formula
C33 H44 N4 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

0K9 in 2 structures; the first of them:

  • 4DI2 · Crystal structure of BACE1 in complex with hydroxyethylamine inhibitor 37 · 0K9 A501 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 19 more
  • 4DI2 · Crystal structure of BACE1 in complex with hydroxyethylamine inhibitor 37 · 0K9 A501 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 19 more

Residues it binds most

GLY 6, ILE 6, THR 6, ARG 6, ASP 6, TYR 6, VAL 6, GLN 6, LEU 6, LYS 6 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol

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