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Ligand · 4BR

4BR · 2-(4-methylphenoxy)ethylphosphinate

4BR, 2-(4-methylphenoxy)ethylphosphinate (C9 H12 O3 P -1, 199.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
4BR
Formula
C9 H12 O3 P -1
Class
ligand
Structures
2
PDB entries
1

Binding sites

4BR in 2 structures; the first of them:

  • 1PE7 · Thermolysin with bicyclic inhibitor · 4BR A322 · binds ASN112, ALA113, PHE114, HIS142, GLU143, HIS146, TYR157, GLU166 and 2 more
  • 1PE7 · Thermolysin with bicyclic inhibitor · 4BR A322 · binds ASN112, ALA113, PHE114, HIS142, GLU143, HIS146, TYR157, GLU166 and 2 more

Residues it binds most

HIS 2, GLU 2, ALA 2, ASN 2, ASP 2, PHE 2, TYR 2 (residue and the binding sites it lines).

Found with

  • LEN · 3-methylbutan-1-amine
  • LEU · Leucine
  • CA · Calcium ion
  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide

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