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Ligand · 0CB

0CB · {[(7-carbamimidoylnaphthalen-2-yl)methyl][4-({1-[(1E)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]sulfamoyl}acetic acid

0CB, {[(7-carbamimidoylnaphthalen-2-yl)methyl][4-({1-[(1E)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]sulfamoyl}acetic acid (C27 H31 N5 O5 S, 537.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
0CB
Formula
C27 H31 N5 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

0CB in 2 structures; the first of them:

  • 3UUZ · Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor · 0CB A481 · binds GLU97, THR98, TYR99, PHE174, ASP189, ALA190, CYS191, GLN192 and 11 more
  • 3UUZ · Bovine trypsin variant X(TRIPLEPHE227) in complex with small molecule inhibitor · 0CB A481 · binds GLU97, THR98, TYR99, PHE174, ASP189, ALA190, CYS191, GLN192 and 11 more

Residues it binds most

GLY 4, CYS 4, PHE 4, SER 4, TYR 4, ALA 4, ASP 4, GLN 4, GLU 4, THR 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • GOL · Glycerol

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