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Ligand · CM8

CM8 · N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide

CM8, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide (C31 H37 F3 N4 O4 S, 618.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
CM8
Formula
C31 H37 F3 N4 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

CM8 in 2 structures; the first of them:

  • 2VNM · Human BACE-1 in complex with 3-(1,1-dioxidotetrahydro-2H-1,2-thiazin… · CM8 A2000 · binds GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96, VAL130 and 19 more
  • 2VNM · Human bace-1 in complex with 3-(1,1-dioxidotetrahydro-2H-1,2-thiazin… · CM8 A2000 · binds GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96, VAL130 and 19 more

Residues it binds most

THR 4, GLY 2, ILE 2, ARG 4, GLN 4, SER 4, ASP 2, LEU 4, TYR 2, ASN 2 (residue and the binding sites it lines).

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