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Ligand · JUR

JUR · 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole-2-carboxamide

JUR, 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole-2-carboxamide (C20 H23 N5 O, 349.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
JUR
Formula
C20 H23 N5 O
Class
ligand
Structures
1
PDB entries
1

Binding sites

JUR in 1 structure; the first of them:

  • 7ZT0 · Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor · JUR A502 · binds ILE97, PHE100, GLN112, LEU117, MET200, THR201, GLY202, PRO213 and 8 more

Residues it binds most

LEU 2, PHE 2, THR 2, VAL 2, ALA 2, GLN 2, GLU 2, ILE 2, MET 2, PRO 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • CL · Chloride ion
  • SO4 · Sulfate ion

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