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Ligand · UTM

UTM · 8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl) phenyl]isoquinoline

UTM, 8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl) phenyl]isoquinoline (C36 H35 N5 O, 553.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
UTM
Formula
C36 H35 N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

UTM in 2 structures; the first of them:

  • 6X82 · Crystal Structure of TNFalpha with isoquinoline compound 4 · UTM A901 · binds LEU57, TYR59, SER60, GLN61, TYR119, LEU120, GLY121, TYR151 and 19 more
  • 6X82 · Crystal structure of tnfalpha with isoquinoline compound 4 · UTM A901 · binds LEU57, TYR59, SER60, LEU120, GLY121, TYR151, ILE155, ALA156 and 14 more

Residues it binds most

LEU 4, TYR 4, GLY 4, ILE 4, SER 4, ALA 4, GLN 1, LYS 1 (residue and the binding sites it lines).

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