Ligand · 4D2
4D2 · 5-[(2S)-4-methyl-2-[(pyridin-3-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid
4D2, 5-[(2S)-4-methyl-2-[(pyridin-3-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid (C21 H24 N2 O5, 384.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…
- Component
- 4D2
- Formula
- C21 H24 N2 O5
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
4D2 in 2 structures; the first of them:
- 4CJP · Interrogating HIV integrase for compounds that bind- a SAMPL challenge · 4D2 A1215 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 8 more
- 4CJP · Interrogating HIV integrase for compounds that bind- a sampl challenge · 4D2 A1215 · binds ASP167, GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178 and 8 more
Residues it binds most
ALA 4, GLN 4, THR 4, ASP 4, GLU 4, HIS 4, LEU 4, LYS 4, MET 4, TRP 4 (residue and the binding sites it lines).
Found with
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