Ligand · 9VN
9VN · (2~{S})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-4-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl) oxy]ethanoic acid
9VN, (2~{S})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-4-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl) oxy]ethanoic acid (C24 H31 N O3 S, 413.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries).…
- Component
- 9VN
- Formula
- C24 H31 N O3 S
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
9VN in 4 structures; the first of them:
- 5OI2 · Dissociation of biochemical and antiretroviral activities of Integrase-LEDGF Allosteric… · 9VN A305 · binds GLN95, ALA98, TYR99, LEU102, THR124, THR125, ALA128, ALA129 and 1 more
- 5OI8 · Dissociation of biochemical and antiretroviral activities of Integrase-LEDGF Allosteric… · 9VN A302 · binds GLN95, ALA98, TYR99, LEU102, ALA124, ALA125, ALA128, ALA129 and 1 more
- 5OI2 · Dissociation of biochemical and antiretroviral activities of integrase-ledgf allosteric… · 9VN A305 · binds GLN95, LEU102, THR124, THR125, ALA128, ALA129, TRP132
- 5OI8 · Dissociation of biochemical and antiretroviral activities of integrase-ledgf allosteric… · 9VN A302 · binds GLN95, LEU102, ALA124, ALA125, ALA128, ALA129, TRP132
Residues it binds most
ALA 4, GLN 4, LEU 4, THR 2, TRP 4, TYR 2 (residue and the binding sites it lines).
Found with
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