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Ligand · S77

S77 · 2-fluoranyl-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl) piperidin-1-yl]pyridin-3-yl]pyridine

S77, 2-fluoranyl-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl) piperidin-1-yl]pyridin-3-yl]pyridine (C18 H19 F N6, 338.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within…

Component
S77
Formula
C18 H19 F N6
Class
ligand
Structures
2
PDB entries
2

Binding sites

S77 in 2 structures; the first of them:

  • 9FXI · Crystal structure of cobalt(II)-substituted double mutant Y115E Y117E human Glutaminyl… · S77 A402 · binds HIS140, LYS144, ASP159, GLU201, GLU202, TRP207, ASP248, LEU249 and 6 more
  • 6GBX · Crystal structure of human glutaminyl cyclase variant Y115E-Y117E in complex with SEN177 · S77 A403 · binds LYS144, ASP159, GLU201, GLU202, TRP207, ASP248, LEU249, GLN304 and 5 more

Residues it binds most

ASP 6, GLU 6, TRP 6, HIS 6, GLN 6, ILE 6, LEU 6, LYS 6, PHE 6 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • CO · Cobalt (II) ion
  • ZN · Zinc ion
  • EDO · 1,2-ethanediol

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