GL1X · GenesisL1 explorer

Ligand · Q3X

Q3X · ~{N}-[5-[4-[2-[2-[2-[2-[3-[[3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanylidene-4-(trifluoromethyl)-3~{H}-pyridine-3-carboxamide

Q3X, ~{N}-[5-[4-[2-[2-[2-[2-[3-[[3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoy…

Component
Q3X
Formula
C58 H72 F3 N9 O11 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

Q3X in 2 structures; the first of them:

  • 8BB2 · Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker… · Q3X B403 · binds ALA47, VAL48, SER49, SER50, SER64, ALA65, GLY89, ILE90 and 30 more
  • 8BB3 · Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker… · Q3X B407 · binds ASN67, ARG69, PHE76, PRO86, TRP88, PHE91, TYR98, PRO99 and 28 more

Residues it binds most

SER 2, PHE 2, PRO 2, ILE 2, TYR 2, ASP 2, ALA 2, ARG 2, HIS 2, LEU 2 (residue and the binding sites it lines).

Found with

  • SCN · Thiocyanate ion
  • EDO · 1,2-ethanediol
  • P6G · Hexaethylene glycol

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