Ligand · 66F
66F · N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
66F, N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide (C17 H17 F2 N5 O3 S, 409.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB…
- Component
- 66F
- Formula
- C17 H17 F2 N5 O3 S
- Class
- ligand
- Structures
- 4
- PDB entries
- 3
Binding sites
66F in 4 structures; the first of them:
- 5HU1 · BACE1 in complex with (R)-N-(3-(3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thia… · 66F A501 · binds LYS70, SER71, GLY72, GLN73, GLY74, LEU91, ASP93, GLY95 and 13 more
- 7D5B · BACE2 xaperone complex with N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-5,6-dihydro-2H-1lamb… · 66F A401 · binds ASP25, SER26, GLY27, ARG28, GLY29, LEU46, ASP48, GLY50 and 11 more
- 7D2V · Crystal structure of BACE1 in complex with N-{3-[(5R)-3-amino-2,5… · 66F A506 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, TYR71 and 8 more
- 7D5B · BACE2 xaperone complex with N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo… · 66F A401 · binds ASP25, SER26, GLY27, ARG28, GLY29, LEU46, ASP48, GLY50 and 10 more
Residues it binds most
GLY 5, SER 5, ASP 5, THR 5, ILE 5, ALA 5, GLN 3, LEU 5, PHE 5, TYR 5 (residue and the binding sites it lines).
Found with
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