Ligand · 68K
68K · N-(6-{2-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]ethyl}pyridin-3-yl)-4-fluorobenzamide
68K, N-(6-{2-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]ethyl}pyridin-3-yl)-4-fluorobenzamide (C38 H40 F N5 O2, 617.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…
- Component
- 68K
- Formula
- C38 H40 F N5 O2
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
68K in 2 structures; the first of them:
- 5I3Y · Crystal structure of BACE1 in complex with aminoquinoline inhibitor 9 · 68K A401 · binds GLY11, GLN12, GLY13, TYR14, LEU30, ASP32, GLY34, SER35 and 22 more
- 5I3Y · Crystal structure of BACE1 in complex with aminoquinoline inhibitor 9 · 68K A401 · binds GLY11, GLN12, GLY13, TYR14, LEU30, ASP32, GLY34, SER35 and 22 more
Residues it binds most
GLY 2, ASP 2, ILE 2, TYR 2, ARG 2, LYS 2, SER 2, THR 2, TRP 2, ALA 2 (residue and the binding sites it lines).
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