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Ligand · YBS

YBS · [4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone

YBS, [4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone (C23 H23 N3 O2, 373.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
YBS
Formula
C23 H23 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

YBS in 2 structures; the first of them:

  • 7LRL · Co-complex CYP46A1 with 7742 (Soticlestat/TAK-935)) · YBS A502 · binds MET108, TYR109, LEU112, PHE121, VAL126, LEU219, ILE222, ILE301 and 10 more
  • 7LRL · Co-complex CYP46A1 with 7742 (SOTICLESTAT/TAK-935)) · YBS A502 · binds MET108, LEU112, PHE121, VAL126, LEU219, ILE301, ALA302, THR306 and 6 more

Residues it binds most

ALA 2, LEU 2, PHE 2, THR 2, ILE 2, GLY 2, MET 2, TRP 2, VAL 2, CYS 1 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe

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