Ligand · SI5
SI5 · (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
SI5, (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine (C17 H18 F2 N4 O S, 364.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries).…
- Component
- SI5
- Formula
- C17 H18 F2 N4 O S
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
SI5 in 4 structures; the first of them:
- 4XRY · Human Cytochrome P450 2D6 BACE1 Inhibitor 5 Complex · SI5 A602 · binds PHE120, LEU121, LEU208, ALA209, GLY212, LEU213, GLU216, GLN244 and 11 more
- 4XXS · Crystal structure of BACE1 with a pyrazole-substituted tetrahydropyran thioamidine · SI5 A401 · binds LEU30, ASP32, GLY34, SER35, VAL69, TYR71, GLN73, PHE108 and 9 more
- 4XRY · Human cytochrome P450 2D6 BACE1 inhibitor 5 complex · SI5 A602 · binds PHE120, LEU121, LEU208, ALA209, GLY212, LEU213, GLU216, GLN244 and 11 more
- 4XXS · Crystal structure of BACE1 with a pyrazole-substituted tetrahydropyran thioamidine · SI5 A401 · binds LEU30, ASP32, GLY34, SER35, VAL69, TYR71, GLN73, PHE108 and 9 more
Residues it binds most
LEU 10, PHE 10, VAL 10, ALA 8, ASP 10, GLY 10, GLN 10, SER 10, THR 10, GLU 8 (residue and the binding sites it lines).
Found with
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.