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Ligand · XQL

XQL · 1-[3,5-bis(fluoranyl)-4-[[3-(1-propan-2-ylpyrazol-3-yl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-(2-methoxyethyl)urea

XQL, 1-[3,5-bis(fluoranyl)-4-[[3-(1-propan-2-ylpyrazol-3-yl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-(2-methoxyethyl)urea (C23 H24 F2 N6 O3, 470.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every…

Component
XQL
Formula
C23 H24 F2 N6 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

XQL in 1 structure; the first of them:

  • 8PAW · Crystal structure of MST1 with a MAP4K1 SMOL inhibitor · XQL A402 · binds LEU36, GLY37, VAL44, ALA57, LYS59, GLU73, VAL86, MET102 and 9 more

Residues it binds most

LEU 2, ASP 2, GLU 2, GLY 2, VAL 2, ALA 2, ARG 2, CYS 2, LYS 2, MET 2 (residue and the binding sites it lines).

Found with

  • ASP · Aspartic acid
  • CXS · 3-cyclohexyl-1-propylsulfonic acid
  • GOL · Glycerol

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