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Ligand · ILI

ILI · N-[(1S)-1-({[(3S,4S,7R)-3-hydroxy-7-methyl-1-(pyridin-2-ylsulfonyl)-2,3,4,7-tetrahydro-1H-azepin-4-yl]amino}carbonyl)-3-methylbutyl]-1-benzofuran-2-carboxamide

ILI, N-[(1S)-1-({[(3S,4S,7R)-3-hydroxy-7-methyl-1-(pyridin-2-ylsulfonyl)-2,3,4,7-tetrahydro-1H-azepin-4-yl]amino}carbonyl)-3-methylbutyl]-1-benzofuran-2-carboxamide (C27 H32 N4 O6 S, 540.6 g/mol), in the MolNFT structures on GenesisL1…

Component
ILI
Formula
C27 H32 N4 O6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

ILI in 2 structures; the first of them:

  • 2FTD · Crystal structure of Cathepsin K complexed with 7-Methyl-Substituted Azepan-3-one compound · ILI A300 · binds GLN19, GLY20, GLN21, CYS22, GLY23, SER24, CYS25, TRP26 and 16 more
  • 2FTD · Crystal structure of cathepsin K complexed with 7-methyl- substituted azepan-3-one… · ILI A300 · binds GLN19, GLY20, GLN21, CYS22, GLY23, SER24, CYS25, TRP26 and 16 more

Residues it binds most

GLY 4, ALA 4, ASN 4, CYS 4, GLN 4, LEU 4, TRP 4, TYR 4, ASP 4, GLU 4 (residue and the binding sites it lines).

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