Ligand · BXQ
BXQ · (3S,4S,5R)-3-{4-amino-3-fluoro-5-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide
BXQ, (3S,4S,5R)-3-{4-amino-3-fluoro-5-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide (C26 H34 F4 N2 O4 S, 546.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2…
- Component
- BXQ
- Formula
- C26 H34 F4 N2 O4 S
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
BXQ in 2 structures; the first of them:
- 4D88 · Crystal Structure of Human Beta Secretase in Complex with NVP-BXQ490 · BXQ A401 · binds SER10, GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35 and 19 more
- 4D88 · Crystal structure of human beta secretase in complex with nvp-BXQ490 · BXQ A401 · binds SER10, GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35 and 19 more
Residues it binds most
GLY 2, ILE 2, THR 2, ASP 2, GLN 2, SER 2, TYR 2, ARG 2, LEU 2, LYS 2 (residue and the binding sites it lines).
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