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Ligand · 57N

57N · (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide

57N, (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide (C19 H15 N3 O2 S, 349.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within…

Component
57N
Formula
C19 H15 N3 O2 S
Class
ligand
Structures
6
PDB entries
3

Binding sites

57N in 6 structures; the first of them:

  • 5D41 · EGFR kinase domain in complex with mutant selective allosteric inhibitor · 57N A1103 · binds VAL726, ALA743, ILE744, LYS745, LEU747, ILE759, GLU762, ALA763 and 11 more
  • 6Z4D · Crystal Structure of EGFR-T790M/V948R in Complex with Mavelertinib and EAI001 · 57N B1102 · binds VAL726, ALA743, ILE744, LYS745, LEU747, ILE759, ALA763, MET766 and 10 more
  • 7A2A · Crystal Structure of EGFR-T790M/V948R in Complex with Spebrutinib and EAI001 · 57N A1101 · binds VAL726, ALA743, ILE744, LYS745, LEU747, ILE759, ALA763, MET766 and 10 more
  • 5D41 · EGFR kinase domain in complex with mutant selective allosteric inhibitor · 57N A1103 · binds VAL726, ALA743, ILE744, LYS745, LEU747, ILE759, GLU762, ALA763 and 11 more
  • 6Z4D · Crystal structure of EGFR-T790M/V948R in complex with mavelertinib and EAI001 · 57N B1102 · binds VAL726, ALA743, ILE744, LYS745, LEU747, ILE759, ALA763, MET766 and 10 more
  • 7A2A · Crystal structure of EGFR-T790M/V948R in complex with spebrutinib and EAI001 · 57N A1101 · binds VAL726, ALA743, ILE744, LYS745, LEU747, ILE759, ALA763, MET766 and 10 more

Residues it binds most

LEU 8, ILE 8, ALA 8, MET 8, ARG 8, ASP 8, CYS 8, LYS 8, PHE 8, THR 8 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • 7G9 · ~{N}-[3-[[5-fluoranyl-2-[[4-(2-methoxyethoxy) phenyl]amino]pyrimidin-4-yl]amino]phenyl]propanamide
  • 8BS · N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
  • ANP · Phosphoaminophosphonic acid-adenylate ester
  • MG · Magnesium ion
  • CL · Chloride ion

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