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Ligand · B4C

B4C · benzyl [(1S)-5-amino-1-{[(1S)-1-({(1S)-5-amino-1-[(S)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-3-phenylpropyl]carbamoyl}pentyl]carbamate

B4C, benzyl [(1S)-5-amino-1-{[(1S)-1-({(1S)-5-amino-1-[(S)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-3-phenylpropyl]carbamoyl}pentyl]carbamate (C37 H48 N6 O6, 672.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
B4C
Formula
C37 H48 N6 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

B4C in 2 structures; the first of them:

  • 3E16 · X-ray structure of human prostasin in complex with Benzoxazole warhead peptidomimic… · B4C B1 · binds HIS57, TYR94, GLU97, GLY98, ASP102, PRO172I, HIS172J, PHE172K and 14 more
  • 3E16 · X-ray structure of human prostasin in complex with benzoxazole warhead peptidomimic… · B4C B1 · binds HIS57, TYR94, GLU97, GLY98, ASP102, PRO172I, HIS172J, PHE172K and 14 more

Residues it binds most

ASP 2, GLY 2, ALA 2, HIS 2, SER 2, CYS 2, GLN 2, GLU 2, PHE 2, PRO 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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