Ligand · 1KI
1KI · 2-bromanyl-4-[(~{E})-2-[6-[2-(2-fluoranylethoxy)ethyl-methyl-amino]-5-methyl-1,3-benzothiazol-2-yl]ethenyl]phenol
1KI, 2-bromanyl-4-[(~{E})-2-[6-[2-(2-fluoranylethoxy)ethyl-methyl-amino]-5-methyl-1,3-benzothiazol-2-yl]ethenyl]phenol (C21 H22 Br F N2 O2 S, 465.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every…
- Component
- 1KI
- Formula
- C21 H22 Br F N2 O2 S
- Class
- ligand
- Structures
- 3
- PDB entries
- 3
Binding sites
1KI in 3 structures; the first of them:
- 7WMM · alpha-synuclein fibril-F0502B complex · 1KI A201 · binds TYR39, VAL40, GLY41, THR44, GLU46, LYS80, VAL82, GLU83 and 8 more
- 8ZLO · F0502B-bound E46K alpha-synuclein fibril · 1KI E101 · binds HIS50, GLY51, VAL52, VAL66, LYS97, ASP98, GLN99, HIS50 and 4 more
- 8ZMY · F0502B-bound WT polymorph 5a alpha-synuclein fibril · 1KI C101 · binds GLU83, GLY84, ALA85, GLY86, GLU83, GLY84, ALA85, GLY86 and 5 more
Residues it binds most
LYS 20, GLY 24, VAL 11, ALA 8, ILE 8, GLU 10, MET 3, ASP 8, PHE 4, HIS 6 (residue and the binding sites it lines).
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