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Ligand · 33C

33C · 4-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide

33C, 4-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide (C25 H21 N3 O3, 411.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
33C
Formula
C25 H21 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

33C in 2 structures; the first of them:

  • 4TKF · Crystal Structure of human Tankyrase 2 in complex with IWR-1. · 33C A1202 · binds HIS1031, GLY1032, SER1033, PHE1035, ALA1038, ILE1039, LYS1042, GLY1043 and 11 more
  • 4TKF · Crystal structure of human tankyrase 2 in complex with iwr-1. · 33C A1202 · binds HIS1031, GLY1032, SER1033, PHE1035, ALA1038, ILE1039, LYS1042, GLY1043 and 11 more

Residues it binds most

GLY 8, ILE 8, TYR 8, ALA 8, HIS 8, PHE 8, ASP 8, LYS 8, SER 8, MET 2 (residue and the binding sites it lines).

Found with

  • 3AB · 3-aminobenzamide
  • ZN · Zinc ion

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