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Ligand · QJM

QJM · N-{(1R,2R)-2-[(4as,7ar)-2-amino-4A,5-dihydro-4H-furo[3, 4-d][1,3]thiazin-7A(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide

QJM, N-{(1R,2R)-2-[(4as,7ar)-2-amino-4A,5-dihydro-4H-furo[3, 4-d][1,3]thiazin-7A(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide (C15 H17 F N4 O2 S, 336.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
QJM
Formula
C15 H17 F N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

QJM in 2 structures; the first of them:

  • 6UVP · BACE-1 in complex with compound #3 · QJM A402 · binds HIS362, ASP363, GLU364, PHE365, ARG366, THR367, GLN55
  • 6UVP · Bace-1 in complex with compound #3 · QJM A402 · binds HIS362, ASP363, GLU364, PHE365, ARG366, THR367, GLN55

Residues it binds most

ARG 4, ASP 4, GLU 4, HIS 4, PHE 4, THR 4, GLN 2 (residue and the binding sites it lines).

Found with

  • QJJ · N-{(1S,2S)-2-[(4as,7ar)-2-amino-4A,5-dihydro-4H-furo[3, 4-d][1,3]thiazin-7A(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide
  • SO4 · Sulfate ion
  • GOL · Glycerol

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