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Ligand · ZY3

ZY3 · N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-6-(ethylamino)-1-methyl-1,3,4,5-tetrahydro-2,1-benzothiazepine-8-carboxamide 2,2-dioxide

ZY3, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-6-(ethylamino)-1-methyl-1,3,4,5-tetrahydro-2,1-benzothiazepine-8-carboxamide 2,2-dioxide (C31 H40 N4 O5 S, 580.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
ZY3
Formula
C31 H40 N4 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

ZY3 in 2 structures; the first of them:

  • 2WF3 · Human BACE-1 in complex with 6-(ethylamino)-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl)… · ZY3 A2000 · binds GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96, PRO131 and 16 more
  • 2WF3 · Human bace-1 in complex with 6-(ethylamino)-N-((1S,2R)-2-hydroxy-3… · ZY3 A2000 · binds GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96, PRO131 and 16 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).

Found with

  • GOL · Glycerol

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