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Ligand · UTJ

UTJ · [4-(isoquinolin-8-yl)phenyl]acetonitrile

UTJ, [4-(isoquinolin-8-yl)phenyl]acetonitrile (C17 H12 N2, 244.3 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, the residues it binds most and the ligands…

Component
UTJ
Formula
C17 H12 N2
Class
ligand
Structures
2
PDB entries
1

Binding sites

UTJ in 2 structures; the first of them:

  • 6X81 · Crystal Structure of TNFalpha with isoquinoline compound 2 · UTJ A201 · binds LEU57, TYR59, SER60, GLN61, TYR119, LEU120, GLY121, TYR151 and 10 more
  • 6X81 · Crystal structure of tnfalpha with isoquinoline compound 2 · UTJ A201 · binds LEU57, TYR59, SER60, LEU120, GLY121, TYR151, TYR119, LEU57 and 5 more

Residues it binds most

TYR 8, LEU 8, GLY 8, ILE 8, SER 8, ALA 4, LYS 4, GLN 3 (residue and the binding sites it lines).

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