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Ligand · PZ8

PZ8 · 1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid

PZ8, 1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid (C13 H12 Cl N O2, 249.7 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…

Component
PZ8
Formula
C13 H12 Cl N O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

PZ8 in 2 structures; the first of them:

  • 6YXI · Structure of Notum in complex with a 1-(3-Chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxyl… · PZ8 A1501 · binds TRP128, TYR129, VAL187, SER232, ALA233, PHE268, LEU269, ASP270 and 8 more
  • 6YXI · Structure of notum in complex with a 1-(3-chlorophenyl)-2,5-dimethyl… · PZ8 A1501 · binds TRP128, TYR129, ALA233, PHE268, LEU269, PRO287, THR288, ILE291 and 3 more

Residues it binds most

PHE 2, ALA 2, VAL 2, ILE 2, LEU 2, PRO 2, THR 2, TRP 2, TYR 2, ASP 1 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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