Ligand · 9NS
9NS · (2S)-6-[[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl-prop-2-enyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
9NS, (2S)-6-[[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl-prop-2-enyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid (C29 H30 N2 O8, 534.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2…
- Component
- 9NS
- Formula
- C29 H30 N2 O8
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
9NS in 2 structures; the first of them:
- 4CED · Interrogating HIV integrase for compounds that bind- a SAMPL challenge · 9NS B1215 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 9 more
- 4CED · Interrogating HIV integrase for compounds that bind- a sampl challenge · 9NS B1215 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 9 more
Residues it binds most
ALA 4, THR 4, GLN 4, GLU 4, ASP 4, HIS 4, LYS 4, MET 4, TRP 4, TYR 4 (residue and the binding sites it lines).
Found with
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