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Ligand · 04Y

04Y · N-cyclopropyl-1-(4-phenylpyridin-3-yl)piperidine-4-carboxamide

04Y, N-cyclopropyl-1-(4-phenylpyridin-3-yl)piperidine-4-carboxamide (C20 H23 N3 O, 321.4 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
04Y
Formula
C20 H23 N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

04Y in 2 structures; the first of them:

  • 7N3L · Co-complex CYP46A1 with 0420 (compound 6) · 04Y A503 · binds PHE80, MET108, TYR109, LEU112, PHE121, VAL126, LEU219, ILE222 and 10 more
  • 7N3L · Co-complex CYP46A1 with 0420 (compound 6) · 04Y A503 · binds PHE80, MET108, TYR109, LEU112, PHE121, VAL126, LEU219, ARG226 and 7 more

Residues it binds most

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

Found with

  • HEM · Protoporphyrin IX containing Fe
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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