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Ligand · C15

C15 · N-dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate

C15, N-dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate (C17 H38 N O3 S +1, 336.6 g/mol), in the MolNFT structures on GenesisL1: bound in 18 records (13 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
C15
Formula
C17 H38 N O3 S +1
Class
ligand
Structures
18
PDB entries
13

Binding sites

C15 in 18 structures; the first of them:

  • 6FVZ · Crystal structure of human monoamine oxidase B (MAO B) in complex with… · C15 A603 · binds ASP153, LYS154, CYS156, TRP157
  • 6FWC · Crystal structure of human monoamine oxidase B (MAO B) in complex with… · C15 A603 · binds ASP153, LYS154, CYS156, TRP157
  • 6RKB · Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 1 · C15 A603 · binds ASP153, LYS154, CYS156, TRP157
  • 6RLE · Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue… · C15 A602 · binds ASP153, LYS154, CYS156, TRP157
  • 7B0V · Crystal Structure of human monoamine oxidase B in complex with… · C15 A603 · binds ASP153, LYS154, CYS156, TRP157
  • 6EMH · Crystal structure of JNK3 in complex with a pyridinylimidazole inhibitor · C15 A506 · binds GLY215, THR216, ILE235, LEU236, GLY237, MET238, GLY239, TYR240 and 6 more
  • 6EQ9 · Crystal structure of JNK3 in complex with AMP-pcp · C15 A506 · binds GLY215, THR216, ILE235, LEU236, GLY237, GLY239, TYR240, TYR268 and 7 more
  • 6FVZ · Crystal structure of human monoamine oxidase B (mao B) in complex with… · C15 A603 · binds ASP153, LYS154, CYS156, TRP157
  • 6FW0 · Crystal structure of human monoamine oxidase B (mao B) in complex with… · C15 A603 · binds ASP153, LYS154, CYS156, TRP157
  • 6FWC · Crystal structure of human monoamine oxidase B (mao B) in complex with… · C15 A603 · binds ASP153, LYS154, CYS156, TRP157
  • 6RKB · Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 1 · C15 A603 · binds ASP153, LYS154, CYS156, TRP157
  • 6RKP · Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue… · C15 A602 · binds ASP153, LYS154, CYS156, TRP157
  • 6RLE · Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue… · C15 A602 · binds ASP153, LYS154, CYS156, TRP157
  • 6YT2 · Crystal structure of human monoamine oxidase B in complex with diphenylene iodonium (dpi) · C15 A603 · binds ASP153, LYS154, CYS156, TRP157
  • 7B0V · Crystal structure of human monoamine oxidase B in complex with (E)-3… · C15 A603 · binds ASP153, LYS154, CYS156, TRP157
  • 7B0Z · Crystal structure of human monoamine oxidase B in complex with (E)-3… · C15 A603 · binds ASP153, LYS154, CYS156, TRP157
  • 7P4F · Crystal structure of monoamine oxidase B in complex with inhibitor 1 · C15 A603 · binds ASP153, LYS154, CYS156, TRP157
  • 7P4H · Crystal structure of monoamine oxidase B in complex with inhibitor (+)-2 · C15 A603 · binds ASP153, LYS154, CYS156, TRP157

Residues it binds most

ASP 34, CYS 32, LYS 32, TRP 32, GLY 3, ILE 3, LEU 3, TYR 3, GLN 3, THR 3 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • GOL · Glycerol
  • E8Z · ~{N}-(3,4-dimethylphenyl)-4-oxidanylidene-chromene-3-carboxamide
  • E98 · ~{N}-(3-fluorophenyl)-4-oxidanylidene-chromene-3-carboxamide
  • K6Q · 4-[(~{E})-2-(4-fluorophenyl)ethenyl]-1-[(~{E})-prop-1-enyl]piperidine
  • K8B · 4-[2-(4-propan-2-ylphenyl)ethyl]-1-[(~{E})-prop-1-enyl]piperidine
  • SKB · (E)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one
  • CL · Chloride ion
  • BME · Beta-mercaptoethanol
  • PEG · Di(hydroxyethyl)ether
  • 5IH · 3,4-dimethyl-7-[[(3~{S})-piperidin-3-yl]methoxy]chromen-2-one
  • 5IK · 4-(hydroxymethyl)-7-[[4-[[methyl-(phenylmethyl) amino]methyl]phenyl]methoxy]chromen-2-one

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