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Ligand · XO8

XO8 · 2-[(4P)-4-(4-{[(4P)-5-(cyclohexylsulfanyl)-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}-2,5-difluorophenyl)-2H-1,2,3-triazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one

XO8, 2-[(4P)-4-(4-{[(4P)-5-(cyclohexylsulfanyl)-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}-2,5-difluorophenyl)-2H-1,2,3-triazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one (C30 H34 F2 N8 O3 S, 624.7 g/mol), in the MolNFT…

Component
XO8
Formula
C30 H34 F2 N8 O3 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

XO8 in 2 structures; the first of them:

  • 8UVP · Human p97/VCP R155H mutant structure with a triazole inhibitor (NSC819701/up) · XO8 A903 · binds LEU492, VAL493, PRO496, VAL497, PRO500, PHE503, LEU504, MET508 and 13 more
  • 8UVQ · Human p97/VCP R155H mutant structure with a triazole inhibitor (NSC819701/down) · XO8 A903 · binds LEU492, VAL493, PRO496, VAL497, PRO500, PHE503, LEU504, GLY507 and 16 more

Residues it binds most

PRO 12, VAL 12, LYS 12, ASN 12, CYS 12, LEU 12, PHE 12, ALA 12, GLN 12, MET 12 (residue and the binding sites it lines).

Found with

  • ADP · Adenosine-5'-diphosphate

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