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Ligand · 16C

16C · N-((E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl)palmitamide

16C, N-((E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl)palmitamide (C34 H67 N O3, 537.9 g/mol), in the MolNFT structures on GenesisL1: bound in 9 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
16C
Formula
C34 H67 N O3
Class
ligand
Structures
9
PDB entries
6

Binding sites

16C in 9 structures; the first of them:

  • 6CQ8 · K2P2.1(TREK-1):ML335 complex · 16C A407 · binds TYR57, ILE60, LEU296, ALA300, THR303, LYS304, VAL307, PHE158
  • 6CQ9 · K2P2.1(TREK-1):ML402 complex · 16C A406 · binds VAL53, LEU56, TYR57, ILE60, LEU296, ALA300, THR303, LYS304 and 2 more
  • 6W8A · K2P2.1 (TREK-1):ML335 complex, 10 mM K+ · 16C A404 · binds LEU56, TYR57, ILE60, LEU296, ILE299, ALA300, THR303, LYS304 and 2 more
  • 8IJQ · The cryo-EM structure of human sphingomyelin synthase-related protein in complex with… · 16C A500 · binds PHE163, SER167, MET170, GLY208, MET209, CYS212, LEU232, CYS233 and 11 more
  • 8UEC · Structure of TREK-1CG*:CAT335a · 16C A401 · binds MET42, LYS45, THR46, SER48, THR49, ILE50, LEU52, VAL53 and 5 more
  • 6CQ8 · K2P2.1(TREK-1):ML335 complex · 16C A407 · binds TYR57, ILE60, ALA300, THR303, LYS304
  • 6CQ9 · K2P2.1(TREK-1):ML402 complex · 16C A406 · binds LEU56, TYR57, ILE60, ALA300, THR303, LYS304, PHE158
  • 6W8A · K2P2.1 (trek-1):ML335 complex, 10 mm K+ · 16C A404 · binds TYR57, ILE60, LEU296, ALA300, LYS304
  • 6W8F · K2P2.1 (trek-1):ML335 complex, 0 mm K+ · 16C A403 · binds TYR57, ILE60, ALA300, LYS304, PHE158

Residues it binds most

MET 7, PHE 11, GLY 6, ILE 11, LEU 9, THR 9, LYS 8, VAL 9, ALA 8, CYS 6 (residue and the binding sites it lines).

Found with

  • R16 · Hexadecane
  • CD · Cadmium ion
  • K · Potassium ion
  • Q6F · N-[(2,4-dichlorophenyl)methyl]-4-[(methylsulfonyl) amino]benzamide
  • D12 · Dodecane
  • LNK · Pentane
  • Q5F · N-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide
  • D10 · Decane
  • WUZ · N-[(2,4-dichlorophenyl)methyl]-4-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide

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