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Ligand · 5IH

5IH · 3,4-dimethyl-7-[[(3~{S})-piperidin-3-yl]methoxy]chromen-2-one

5IH, 3,4-dimethyl-7-[[(3~{S})-piperidin-3-yl]methoxy]chromen-2-one (C17 H21 N O3, 287.4 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
5IH
Formula
C17 H21 N O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

5IH in 2 structures; the first of them:

  • 7P4H · Crystal Structure of Monoamine Oxidase B in complex with inhibitor (+)-2 · 5IH A602 · binds TYR60, PRO102, PRO104, TRP119, LEU164, LEU167, PHE168, LEU171 and 9 more
  • 7P4H · Crystal structure of monoamine oxidase B in complex with inhibitor (+)-2 · 5IH A602 · binds TYR60, PRO104, LEU164, PHE168, LEU171, CYS172, ILE198, ILE199 and 6 more

Residues it binds most

TYR 4, LEU 4, ILE 4, PHE 4, PRO 4, CYS 4, GLN 4, TRP 3 (residue and the binding sites it lines).

Found with

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

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