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Ligand · KJ0

KJ0 · N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide

KJ0, N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide (C30 H40 N4 O6, 552.7 g/mol), in the…

Component
KJ0
Formula
C30 H40 N4 O6
Class
ligand
Structures
2
PDB entries
2

Binding sites

KJ0 in 2 structures; the first of them:

  • 8GX2 · The crystal structure of human CtsL in complex with 14c · KJ0 A302 · binds GLN19, CYS22, GLY23, SER24, CYS25, TRP26, GLY61, GLU63 and 14 more
  • 8GX3 · The crystal structure of human Calpain-1 protease core in complex with 14c · KJ0 A801 · binds GLN109, LEU112, GLY113, ASP114, CYS115, TRP116, SER206, GLY207 and 11 more

Residues it binds most

GLY 3, CYS 3, TRP 3, ALA 3, MET 3, SER 3, GLN 3, GLU 3, ASP 3, HIS 3 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • DMS · Dimethyl sulfoxide

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