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Ligand · XPD

XPD · 6-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-2H-1,4-benzoxazin-3(4H)-one

XPD, 6-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-2H-1,4-benzoxazin-3(4H)-one (C21 H20 Cl F N2 O4, 418.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
XPD
Formula
C21 H20 Cl F N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

XPD in 2 structures; the first of them:

  • 7L4T · Crystal structure of human monoacylglycerol lipase in complex with compound 1 · XPD A2501 · binds GLY50, ALA51, GLU53, ARG57, HIS121, SER122, MET123, LEU148 and 16 more
  • 7L4T · Crystal structure of human monoacylglycerol lipase in complex with compound 1 · XPD A2501 · binds GLY50, ALA51, GLU53, ARG57, HIS121, SER122, MET123, LEU148 and 16 more

Residues it binds most

LEU 2, ALA 2, GLY 2, HIS 2, SER 2, VAL 2, ARG 2, ASN 2, CYS 2, GLU 2 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • MPD · (4S)-2-methyl-2,4-pentanediol

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