Ligand · 6I2
6I2 · {2-[(3-{[4-(2-{[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}phenyl)methyl]amino}ethyl) piperazin-1-yl]methyl}phenyl)ethynyl]-5-methyl-1-benzofuran-3-yl}acetic acid
6I2, {2-[(3-{[4-(2-{[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}phenyl)methyl]amino}ethyl) piperazin-1-yl]methyl}phenyl)ethynyl]-5-methyl-1-benzofuran-3-yl}acetic acid (C46 H43 N3 O6, 733.9 g/mol), in the MolNFT structures…
- Component
- 6I2
- Formula
- C46 H43 N3 O6
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
6I2 in 2 structures; the first of them:
- 7RQ0 · HIV Integrase CORE domain in complex with 2-{2-[2-(3-{[4-(2-{[(3-{2-[3-(carboxymethyl)-5-m… · 6I2 B305 · binds GLN95, GLU96, ALA98, TYR99, LEU102, THR125, ALA128, ALA129 and 22 more
- 7RQ0 · HIV integrase core domain in complex with 2-{2-[2-(3-{[4-(2-{[(3-{2… · 6I2 B305 · binds GLN95, GLU96, ALA98, TYR99, LEU102, THR125, ALA128, ALA129 and 18 more
Residues it binds most
ALA 2, GLU 2, THR 2, GLN 2, HIS 2, LEU 2, TYR 2, LYS 2, MET 2, TRP 1 (residue and the binding sites it lines).
Found with
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