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Ligand · WY8

WY8 · 9-[(1~{S},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one

WY8, 9-[(1~{S},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadeca…

Component
WY8
Formula
C21 H23 F2 N9 O8 P2 S2
Class
ligand
Structures
2
PDB entries
2

Binding sites

WY8 in 2 structures; the first of them:

  • 8P44 · Crystal structure of monkeypox virus poxin in complex with the STING agonist MD1202D · WY8 A201 · binds GLY127, ASN128, ALA129, TYR138, CYS166, VAL167, GLN169, ARG182 and 7 more
  • 8P45 · Crystal structure of human STING in complex with the agonist MD1202D · WY8 A401 · binds SER162, TYR163, GLY166, TYR167, ARG232, ILE235, ARG238, VAL239 and 4 more

Residues it binds most

ALA 4, ARG 5, TYR 5, GLY 5, ILE 5, VAL 5, ASN 4, CYS 4, GLN 4, HIS 4 (residue and the binding sites it lines).

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