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Ligand · 976

976 · (2S)-2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid

976, (2S)-2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid (C21 H20 Cl N O2, 353.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
976
Formula
C21 H20 Cl N O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

976 in 2 structures; the first of them:

  • 3LPU · HIV integrase · 976 A1 · binds GLN95, ALA98, TYR99, LEU102, THR124, THR125, ALA128, ALA129
  • 3LPU · HIV integrase · 976 A1 · binds GLN95, ALA98, TYR99, LEU102, THR124, THR125, ALA128, ALA129

Residues it binds most

ALA 2, THR 2, GLN 2, LEU 2, TYR 2 (residue and the binding sites it lines).

Found with

  • P03 · 2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol
  • CA · Calcium ion
  • SO4 · Sulfate ion
  • PEG · Di(hydroxyethyl)ether

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