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Ligand · 3B1

3B1 · (2R)-morpholin-4-yl(phenyl)ethanenitrile

3B1, (2R)-morpholin-4-yl(phenyl)ethanenitrile (C12 H14 N2 O, 202.2 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 it binds most and the…

Component
3B1
Formula
C12 H14 N2 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

3B1 in 2 structures; the first of them:

  • 4TYB · An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based… · 3B1 A601 · binds PHE193, ARG200, ASN316, CYS366, SER368, LEU384, MET414, TYR415 and 1 more
  • 4TYB · An ligand-observed mass spectrometry-based approach integrated into the fragment based… · 3B1 A601 · binds PHE193, ARG200, ASN316, CYS366, SER368, LEU384, MET414, TYR415 and 1 more

Residues it binds most

TYR 8, SER 8, ARG 8, CYS 8, MET 8, PHE 8, LEU 6, ASN 2 (residue and the binding sites it lines).

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