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Ligand · B36

B36 · 6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline

B36, 6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline (C31 H28 N2 O, 444.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
B36
Formula
C31 H28 N2 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

B36 in 4 structures; the first of them:

  • 3H0J · Crystal structure of the carboxyltransferase domain of acetyl-coenzyme A carboxylase in… · B36 A1 · binds VAL1923, ARG1954, GLY1955, PHE1956, SER1957, GLY1958, GLY1959, LEU2025 and 4 more
  • 3TZ3 · Crystal Structure of the humanized carboxyltransferase domain of yeast Acetyl-coA… · B36 A2242 · binds THR1757, ALA1761, LEU1762, LYS1764, VAL1765, LEU1766
  • 3H0J · Crystal structure of the carboxyltransferase domain of acetyl-coenzyme a carboxylase in… · B36 A1 · binds VAL1923, ARG1954, GLY1955, PHE1956, SER1957, GLY1958, GLY1959, LEU2025 and 4 more
  • 3TZ3 · Crystal structure of the humanized carboxyltransferase domain of yeast acetyl-CoA… · B36 A2242 · binds THR1757, ALA1761, LEU1762, LYS1764, VAL1765, LEU1766

Residues it binds most

GLY 10, LEU 12, GLU 10, VAL 12, ALA 10, ARG 10, ILE 10, PHE 10, LYS 10, SER 10 (residue and the binding sites it lines).

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