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Ligand · 86I

86I · 6-[(7-methyl-2-propyl-imidazo[4,5-b]pyridin-4-yl) methyl]-2-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-1,3-benzothiazole

86I, 6-[(7-methyl-2-propyl-imidazo[4,5-b]pyridin-4-yl) methyl]-2-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-1,3-benzothiazole (C25 H22 N8 S, 466.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
86I
Formula
C25 H22 N8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

86I in 2 structures; the first of them:

  • 7X11 · Crystal structure of ME1 in complex with NADPH · 86I A603 · binds ASN259, PHE263, ARG270, ILE280, GLN281, ALA284, GLY313, GLU314 and 8 more
  • 7X11 · Crystal structure of ME1 in complex with NADPH · 86I A603 · binds ASN259, PHE263, ARG270, ILE280, GLN281, GLY313, GLU314, LEU317 and 4 more

Residues it binds most

GLU 8, GLY 8, LEU 8, PHE 8, ASN 8, ASP 8, HIS 8, ARG 7, GLN 7, ALA 6 (residue and the binding sites it lines).

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • MN · Manganese (II) ion

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