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Ligand · ZY2

ZY2 · N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-8-ethyl-1-methyl-3,4,7,8-tetrahydro-1H,6H-[1,2,5]thiadiazepino[5,4,3-de]quinoxaline-10-carboxamide 2,2-dioxide

ZY2, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-8-ethyl-1-methyl-3,4,7,8-tetrahydro-1H,6H-[1,2,5]thiadiazepino[5,4,3-de]quinoxaline-10-carboxamide 2,2-dioxide (C32 H41 N5 O5 S, 607.8 g/mol), in the MolNFT structures on…

Component
ZY2
Formula
C32 H41 N5 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

ZY2 in 2 structures; the first of them:

  • 2WF2 · Human BACE-1 in complex with 8-ethyl-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl)methyl)… · ZY2 A2000 · binds GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96, PRO131 and 17 more
  • 2WF2 · Human bace-1 in complex with 8-ethyl-N-((1S,2R)-2-hydroxy-3-(((3… · ZY2 A2000 · binds GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96, PRO131 and 17 more

Residues it binds most

GLY 2, ILE 2, THR 2, ASP 2, GLN 2, SER 2, TYR 2, ARG 2, ASN 2, LEU 2 (residue and the binding sites it lines).

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