Ligand · 842
842 · N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(1H-pyrazol-1-yl)phenyl]cyclohexyl}amino)propyl]acetamide
842, N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(1H-pyrazol-1-yl)phenyl]cyclohexyl}amino)propyl]acetamide (C27 H32 F2 N4 O2, 482.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding…
- Component
- 842
- Formula
- C27 H32 F2 N4 O2
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
842 in 4 structures; the first of them:
- 3N4L · BACE-1 in complex with ELN380842 · 842 A407 · binds GLN18, LEU36, ASP38, GLY40, SER41, VAL75, PRO76, TYR77 and 18 more
- 4I0J · SPR and structural analysis yield insight towards mechanism of inhibition of BACE… · 842 A505 · binds LEU91, ASP93, GLY95, SER96, VAL130, PRO131, TYR132, THR133 and 18 more
- 3N4L · Bace-1 in complex with ELN380842 · 842 A407 · binds GLN18, LEU36, ASP38, GLY40, SER41, VAL75, PRO76, TYR77 and 18 more
- 4I0J · Spr and structural analysis yield insight towards mechanism of inhibition of bace… · 842 A505 · binds LEU91, ASP93, GLY95, SER96, VAL130, PRO131, TYR132, THR133 and 18 more
Residues it binds most
ILE 8, GLY 8, THR 8, ASP 8, LYS 8, TYR 8, VAL 8, ARG 8, GLN 8, LEU 8 (residue and the binding sites it lines).
Found with
- ZN · Zinc ion
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