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Ligand · U1T

U1T · 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one

U1T, 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one (C21 H22 N2 O, 318.4 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…

Component
U1T
Formula
C21 H22 N2 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

U1T in 2 structures; the first of them:

  • 4UVU · Crystal structure of human tankyrase 2 in complex with 1-((4-(5… · U1T A2162 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, ARG1047, HIS1048 and 10 more
  • 4UVU · Crystal structure of human tankyrase 2 in complex with 1-((4-(5… · U1T A2162 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, ARG1047, HIS1048 and 10 more

Residues it binds most

PHE 4, TYR 4, ALA 4, HIS 4, SER 4, ARG 4, GLU 4, GLY 4, ILE 4, LYS 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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