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Ligand · 40X

40X · (6S)-2-chloro-8,11,11-trimethyl-9-oxo-6-propyl-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide

40X, (6S)-2-chloro-8,11,11-trimethyl-9-oxo-6-propyl-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide (C23 H27 Cl N2 O3, 414.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
40X
Formula
C23 H27 Cl N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

40X in 2 structures; the first of them:

  • 4XIR · Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock… · 40X A301 · binds ASN51, SER52, ALA55, LYS58, ASP93, MET98, ASP102, LEU103 and 10 more
  • 4XIR · Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock… · 40X A301 · binds ASN51, SER52, ALA55, LYS58, ASP93, MET98, ASP102, LEU103 and 10 more

Residues it binds most

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

Found with

  • GOL · Glycerol

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