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Ligand · 1C6

1C6 · 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole

1C6, 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole (C17 H19 N3 O2 S, 329.4 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (5 PDB entries). Every binding site with its residues within…

Component
1C6
Formula
C17 H19 N3 O2 S
Class
ligand
Structures
8
PDB entries
5

Binding sites

1C6 in 8 structures; the first of them:

  • 4KEW · structure of the A82F BM3 heme domain in complex with omeprazole · 1C6 A502 · binds LEU20, VAL26, LEU29, TYR51, SER72, ALA74, PHE87, LEU188 and 9 more
  • 4KEY · Structure of P450 BM3 A82F F87V in complex with omeprazole · 1C6 A502 · binds LEU20, VAL26, LEU29, TYR51, SER72, ALA74, LEU75, PHE82 and 9 more
  • 4O4P · Structure of P450 BM3 A82F F87V in complex with S-omeprazol · 1C6 A502 · binds LEU20, VAL26, LEU29, TYR51, ALA74, LEU75, PHE82, VAL87 and 8 more
  • 8DME · CYP102A1 in Open Conformation · 1C6 A1102 · binds LEU20, VAL26, LEU29, TYR51, SER72, ALA74, LEU75, PHE87 and 10 more
  • 8DMG · CYP102A1 in Closed Conformation · 1C6 A1102 · binds LEU20, VAL26, LEU29, TYR51, SER72, ALA74, PHE87, LEU188 and 9 more
  • 4KEW · Structure of the A82F BM3 heme domain in complex with omeprazole · 1C6 A502 · binds LEU20, VAL26, LEU29, TYR51, SER72, ALA74, PHE87, LEU188 and 9 more
  • 4KEY · Structure of P450 BM3 A82F F87V in complex with omeprazole · 1C6 A502 · binds LEU20, VAL26, LEU29, TYR51, SER72, ALA74, LEU75, PHE82 and 9 more
  • 4O4P · Structure of P450 BM3 A82F F87V in complex with S-omeprazol · 1C6 A502 · binds LEU20, VAL26, LEU29, TYR51, ALA74, LEU75, PHE82, VAL87 and 8 more

Residues it binds most

LEU 16, ALA 16, THR 16, VAL 16, PRO 16, PHE 16, TYR 16, MET 14, SER 10, ILE 8 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • FAD · Flavin-adenine dinucleotide
  • FMN · Flavin mononucleotide
  • SO4 · Sulfate ion
  • PG4 · Tetraethylene glycol

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