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Ligand · 9XW

9XW · ~{N}-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methyl-4-oxidanyl-piperidine-1-carboxamide

9XW, ~{N}-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methyl-4-oxidanyl-piperidine-1-carboxamide (C19 H26 N4 O4 S, 406.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
9XW
Formula
C19 H26 N4 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

9XW in 2 structures; the first of them:

  • 5OLO · Structure of the A2A-StaR2-bRIL562-Tozadenant complex at 3.1A obtained from in meso… · 9XW A1201 · binds ALA63, ILE66, ALA81, PHE168, GLU169, MET174, MET177, LEU249 and 8 more
  • 5OLO · Structure of the A2A-STAR2-BRIL562-tozadenant complex at 3.1A obtained from in meso… · 9XW A1201 · binds ALA63, ILE66, ALA81, PHE168, GLU169, MET174, MET177, LEU249 and 8 more

Residues it binds most

ALA 2, ILE 2, MET 2, HIS 2, ASN 2, GLU 2, LEU 2, PHE 2, THR 2 (residue and the binding sites it lines).

Found with

  • CLR · Cholesterol
  • OLA · Oleic acid
  • NA · Sodium ion
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate

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