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Ligand · 40U

40U · N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide

40U, N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide (C23 H33 Cl N2 O3, 421.0 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries).…

Component
40U
Formula
C23 H33 Cl N2 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

40U in 4 structures; the first of them:

  • 4S0T · Structure of human pregnane X receptor ligand binding domain bound with adnectin-1 and… · 40U A501 · binds LEU206, LEU209, VAL211, LEU240, MET243, ALA244, MET246, SER247 and 14 more
  • 4XHD · Structure of human pregnane X receptor ligand binding domain with compound-1 · 40U A502 · binds LEU206, LEU209, VAL211, LEU240, MET243, ALA244, SER247, PHE281 and 14 more
  • 4S0T · Structure of human pregnane X receptor ligand binding domain bound with adnectin-1 and… · 40U A501 · binds LEU206, LEU209, VAL211, LEU240, MET243, ALA244, MET246, SER247 and 14 more
  • 4XHD · Structure of human pregnane X receptor ligand binding domain with compound-1 · 40U A502 · binds LEU206, LEU209, VAL211, LEU240, MET243, ALA244, SER247, PHE281 and 14 more

Residues it binds most

LEU 6, MET 6, PHE 6, ALA 6, HIS 6, GLN 6, SER 6, TRP 6, TYR 6, VAL 6 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol

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