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Ligand · K8B

K8B · 4-[2-(4-propan-2-ylphenyl)ethyl]-1-[(~{E})-prop-1-enyl]piperidine

K8B, 4-[2-(4-propan-2-ylphenyl)ethyl]-1-[(~{E})-prop-1-enyl]piperidine (C19 H29 N, 271.4 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 it…

Component
K8B
Formula
C19 H29 N
Class
ligand
Structures
2
PDB entries
1

Binding sites

K8B in 2 structures; the first of them:

  • 6RLE · Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue… · K8B A601 · binds PRO102, PRO104, TRP119, LEU164, LEU167, PHE168, LEU171, CYS172 and 8 more
  • 6RLE · Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue… · K8B A601 · binds PRO104, LEU167, PHE168, LEU171, ILE198, ILE199, GLN206, ILE316 and 4 more

Residues it binds most

ILE 4, TYR 4, LEU 4, PHE 4, PRO 4, GLN 4, CYS 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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