Ligand · 0QQ
0QQ · N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
0QQ, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide (C20 H20 F2 N4 O3 S, 434.5 g/mol), in the MolNFT structures on GenesisL1: bound…
- Component
- 0QQ
- Formula
- C20 H20 F2 N4 O3 S
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
0QQ in 4 structures; the first of them:
- 7F1D · Crystal Structure of BACE1 in complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl… · 0QQ A505 · binds GLY11, GLN12, GLY13, TYR14, LEU30, ASP32, GLY34, SER35 and 13 more
- 7F1G · BACE2 xaperone complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H… · 0QQ A401 · binds ASP25, GLY27, ARG28, GLY29, TYR30, LEU46, ASP48, GLY50 and 12 more
- 7F1D · Crystal structure of BACE1 in complex with N-{3-[(4R,5R,6R)-2-amino-5… · 0QQ A505 · binds GLY11, GLN12, GLY13, TYR14, LEU30, ASP32, GLY34, TYR71 and 11 more
- 7F1G · BACE2 xaperone complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6… · 0QQ A401 · binds ASP25, GLY27, ARG28, GLY29, TYR30, LEU46, ASP48, GLY50 and 10 more
Residues it binds most
GLY 4, ASP 4, THR 4, TYR 4, ILE 4, SER 4, ALA 4, ARG 4, LEU 4, PHE 4 (residue and the binding sites it lines).
Found with
- IOD · Iodide ion
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