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Ligand · 2Q4

2Q4 · N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide

2Q4, N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide (C23 H35 Cl N2 O4, 439.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
2Q4
Formula
C23 H35 Cl N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

2Q4 in 2 structures; the first of them:

  • 4NY9 · Crystal Structure Of the Human PXR-LBD In Complex With… · 2Q4 A501 · binds LEU206, LEU209, VAL211, LEU240, MET243, ALA244, MET246, SER247 and 14 more
  • 4NY9 · Crystal structure of the human pxr-lbd in complex with N-{(2R)-1… · 2Q4 A501 · binds LEU206, LEU209, VAL211, LEU240, MET243, ALA244, MET246, SER247 and 14 more

Residues it binds most

LEU 2, MET 2, PHE 2, HIS 2, ALA 2, CYS 2, GLN 2, ILE 2, SER 2, TRP 2 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol

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