Ligand · SI6

SI6 · (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine

SI6, (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine (C16 H16 F2 N4 O S, 350.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding…

Component: SI6
Formula: C16 H16 F2 N4 O S
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

SI6 in 1 structure; the first of them:

4XRZ · Human Cytochrome P450 2D6 BACE1 Inhibitor 6 Complex · SI6 A602 · binds PHE120, ALA209, GLY212, LEU213, GLU216, GLN244, ASP301, SER304 and 7 more

Residues it binds most

ALA 4, PHE 4, VAL 4, LEU 4, ASP 4, CYS 4, GLN 4, GLU 4, GLY 4, SER 4 (residue and the binding sites it lines).

Found with

HEM · Protoporphyrin IX containing Fe
NA · Sodium ion
ZN · Zinc ion
GOL · Glycerol

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