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Ligand · Y6Y

Y6Y · 3-[3-cyclopentylsulfanyl-5-[[3-methyl-4-(4-methylsulfonylphenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine

Y6Y, 3-[3-cyclopentylsulfanyl-5-[[3-methyl-4-(4-methylsulfonylphenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine (C27 H28 N4 O3 S2, 520.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site…

Component
Y6Y
Formula
C27 H28 N4 O3 S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

Y6Y in 4 structures; the first of them:

  • 7LMY · Cryo-EM structure of human p97 in complex with NMS-873 in the presence of ATP, Npl4/Ufd1… · Y6Y A903 · binds LEU492, VAL493, PRO496, VAL497, PRO500, PHE503, LEU504, GLY507 and 14 more
  • 7WUB · Cryo-EM structure of dodecamer P97 · Y6Y A802 · binds LEU492, VAL493, PRO496, VAL497, PRO500, PHE503, LEU504, GLY507 and 17 more
  • 7LMY · Cryo-EM structure of human P97 in complex with nms-873 in the presence of ATP, NPL4/UFD1… · Y6Y A903 · binds LEU492, VAL493, PRO496, VAL497, PRO500, LEU504, GLY507, MET508 and 11 more
  • 7WUB · Cryo-EM structure of dodecamer P97 · Y6Y A802 · binds VAL493, PRO496, VAL497, PRO500, LEU504, GLY507, MET508, PRO510 and 12 more

Residues it binds most

PRO 36, VAL 36, LYS 36, CYS 36, LEU 36, PHE 30, ALA 36, ASN 36, GLY 36, MET 36 (residue and the binding sites it lines).

Found with

  • ADP · Adenosine-5'-diphosphate
  • ATP · Adenosine-5'-triphosphate
  • MG · Magnesium ion

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