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Ligand · 33Y

33Y · 1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate

33Y, 1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate (C25 H24 F2 N2 O3, 438.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
33Y
Formula
C25 H24 F2 N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

33Y in 2 structures; the first of them:

  • 5Z12 · A structure of FXR/RXR · 33Y A501 · binds ILE283, ILE287, LEU301, THR302, MET304, ALA305, HIS308, MET342 and 8 more
  • 5Z12 · A structure of FXR/RXR · 33Y A501 · binds ILE283, ILE287, LEU301, THR302, MET304, ALA305, HIS308, MET342 and 8 more

Residues it binds most

ILE 4, LEU 4, MET 4, ALA 4, HIS 4, PHE 2, SER 4, THR 4, TRP 4, TYR 4 (residue and the binding sites it lines).

Found with

  • 9CR · (9cis)-retinoic acid

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