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Ligand · J7B

J7B · 2-[2-[[3-[3-(aminomethyl) phenyl]phenyl]carbonylamino]phenyl]ethanoic acid

J7B, 2-[2-[[3-[3-(aminomethyl) phenyl]phenyl]carbonylamino]phenyl]ethanoic acid (C22 H20 N2 O3, 360.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
J7B
Formula
C22 H20 N2 O3
Class
ligand
Structures
3
PDB entries
2

Binding sites

J7B in 3 structures; the first of them:

  • 6TS4 · Coagulation factor XI protease domain in complex with active site inhibitor · J7B A310 · binds LEU39, CYS40, HIS57, CYS58, LEU146, ASP189, ALA190, CYS191 and 10 more
  • 6QMT · Complement factor D in complex with the inhibitor 2-(2-(3'… · J7B A301 · binds LEU41, CYS42, HIS57, CYS58, GLU60, ASP61, ASP189, SER190 and 12 more
  • 6TS4 · Coagulation factor XI protease domain in complex with active site inhibitor · J7B A310 · binds LEU39, CYS40, HIS57, CYS58, ASP189, ALA190, CYS191, LYS192 and 8 more

Residues it binds most

CYS 4, GLY 4, ASP 4, SER 3, LEU 4, ALA 2, HIS 4, LYS 4, THR 4, VAL 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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