GL1X · GenesisL1 explorer

Ligand · C44

C44 · N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide

C44, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide (C33 H42 N4 O4 S, 590.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
C44
Formula
C33 H42 N4 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

C44 in 2 structures; the first of them:

  • 2VIJ · Human BACE-1 in complex with 3-(1,1-dioxidotetrahydro-2H-1,2-thiazin… · C44 A3000 · binds GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96, PRO131 and 18 more
  • 2VIJ · Human bace-1 in complex with 3-(1,1-dioxidotetrahydro-2H-1,2-thiazin… · C44 A3000 · binds GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96, PRO131 and 18 more

Residues it binds most

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

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.