Ligand · VU3
VU3 · 2-(2-(4-phenylpiperidin-1-yl)ethyl)-1H-indole
VU3, 2-(2-(4-phenylpiperidin-1-yl)ethyl)-1H-indole (C21 H24 N2, 304.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…
- Component
- VU3
- Formula
- C21 H24 N2
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
VU3 in 4 structures; the first of them:
- 2XNU · Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening… · VU3 C1206 · binds TYR91, TRP145, TYR186, TYR193, ILE116
- 2XNV · Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening… · VU3 A301 · binds TYR91, SER144, TRP145, TYR186, CYS188, CYS189, TYR193, TYR53 and 1 more
- 2XNU · Acetylcholine binding protein (achbp) as template for hierarchical in silico screening… · VU3 C1206 · binds TYR91, TRP145, TYR186, TYR193, ILE116
- 2XNV · Acetylcholine binding protein (achbp) as template for hierarchical in silico screening… · VU3 A301 · binds TYR91, SER144, TRP145, TYR186, CYS188, CYS189, TYR193, TYR53 and 1 more
Residues it binds most
TYR 22, CYS 20, ILE 22, TRP 22, SER 18, GLN 6, MET 6, GLU 2 (residue and the binding sites it lines).
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