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Ligand · JJU

JJU · 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid

JJU, 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid (C18 H12 F3 N3 O2, 359.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
JJU
Formula
C18 H12 F3 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

JJU in 2 structures; the first of them:

  • 7ZJP · Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 · JJU A501 · binds PHE221, ALA223, PHE239, VAL240, PHE290, ALA292, LEU294, VAL308 and 15 more
  • 7ZJP · Optimization of tead P-site binding fragment hit into in vivo active lead msc-4106 · JJU A501 · binds PHE221, ALA223, PHE239, VAL240, PHE290, ALA292, LEU294, VAL308 and 10 more

Residues it binds most

PHE 4, LEU 4, ALA 4, CYS 4, ILE 4, MET 4, VAL 4, LYS 4, PRO 2, THR 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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