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Ligand · 40W

40W · 4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide

40W, 4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide (C18 H20 N2 O2, 296.4 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…

Component
40W
Formula
C18 H20 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

40W in 2 structures; the first of them:

  • 4XIP · Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock… · 40W A301 · binds ASN51, SER52, ALA55, ASP93, MET98, ASP102, LEU103, LEU107 and 8 more
  • 4XIP · Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock… · 40W A301 · binds ASN51, SER52, ALA55, ASP93, MET98, ASP102, LEU103, LEU107 and 8 more

Residues it binds most

ALA 2, ASP 2, LEU 2, ASN 2, GLY 2, ILE 2, MET 2, PHE 2, SER 2, THR 2 (residue and the binding sites it lines).

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