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Ligand · 33E

33E · 4-iodo-3-nitrobenzamide

33E, 4-iodo-3-nitrobenzamide (C7 H5 I N2 O3, 292.0 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with…

Component
33E
Formula
C7 H5 I N2 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

33E in 4 structures; the first of them:

  • 4TKI · Crystal Structure of human Tankyrase 2 in complex with BSI-201. · 33E A1202 · binds PHE1030, HIS1031, GLY1032, SER1033, TYR1050, TYR1060, PHE1061, ALA1062 and 5 more
  • 7F42 · PARP15 catalytic domain in complex with Iniparib · 33E A701 · binds PHE558, HIS559, GLY560, ALA583, TYR591, PHE592, ALA593, TYR598 and 4 more
  • 4TKI · Crystal structure of human tankyrase 2 in complex with bsi-201. · 33E A1202 · binds PHE1030, HIS1031, GLY1032, SER1033, TYR1050, TYR1060, PHE1061, ALA1062 and 5 more
  • 7F42 · PARP15 catalytic domain in complex with iniparib · 33E A701 · binds PHE558, HIS559, GLY560, ALA583, TYR591, PHE592, ALA593, TYR598 and 4 more

Residues it binds most

TYR 14, PHE 18, SER 14, ALA 18, GLY 18, HIS 18, LYS 14, GLU 12, ILE 14, ASP 8 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • IPA · Isopropyl alcohol

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