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Ligand · K72

K72 · 1-[(~{E})-prop-1-enyl]-4-[(~{E})-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine

K72, 1-[(~{E})-prop-1-enyl]-4-[(~{E})-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine (C17 H20 F3 N, 295.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
K72
Formula
C17 H20 F3 N
Class
ligand
Structures
1
PDB entries
1

Binding sites

K72 in 1 structure; the first of them:

  • 6RKP · Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue… · K72 A601 · binds PRO104, TRP119, LEU164, PHE168, LEU171, ILE199, GLN206, ILE316 and 3 more

Residues it binds most

ILE 2, LEU 2, PHE 2, TYR 2, GLN 2, PRO 2, TRP 2 (residue and the binding sites it lines).

Found with

  • C15 · N-dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate
  • FAD · Flavin-adenine dinucleotide
  • GOL · Glycerol

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