Ligand · BXD
BXD · (3S,4S,5R)-3-(4-amino-3-{[(2R)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide
BXD, (3S,4S,5R)-3-(4-amino-3-{[(2R)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide (C28 H38 F4 N2 O5 S, 590.7 g/mol), in the MolNFT structures on GenesisL1…
- Component
- BXD
- Formula
- C28 H38 F4 N2 O5 S
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
BXD in 4 structures; the first of them:
- 4D89 · Crystal Structure of Human Beta Secretase in Complex with NVP-BXD552, derived from a… · BXD A501 · binds GLY59, GLN60, GLY61, LEU78, ASP80, GLY82, SER83, VAL117 and 18 more
- 4D8C · Crystal Structure of Human Beta Secretase in Complex with NVP-BXD552, derived from a… · BXD A501 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 18 more
- 4D89 · Crystal structure of human beta secretase in complex with nvp-BXD552, derived from a… · BXD A501 · binds GLY59, GLN60, GLY61, LEU78, ASP80, GLY82, SER83, VAL117 and 18 more
- 4D8C · Crystal structure of human beta secretase in complex with nvp-BXD552, derived from a… · BXD A501 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 18 more
Residues it binds most
GLY 8, ILE 8, THR 8, ASP 8, GLN 8, TYR 8, ARG 8, LEU 8, LYS 8, PHE 8 (residue and the binding sites it lines).
Found with
- SO4 · Sulfate ion
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