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Ligand · SNT

SNT · (E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine

SNT, (E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine (C23 H27 N5, 373.5 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…

Component
SNT
Formula
C23 H27 N5
Class
ligand
Structures
2
PDB entries
1

Binding sites

SNT in 2 structures; the first of them:

  • 4N4W · Structure of the human smoothened receptor in complex with SANT-1. · SNT A605 · binds MET230, ILE234, PHE274, TRP281, LEU325, MET326, VAL329, ASP384 and 16 more
  • 4N4W · Structure of the human smoothened receptor in complex with sant-1. · SNT A605 · binds MET230, ILE234, PHE274, TRP281, LEU325, MET326, VAL329, ASP384 and 16 more

Residues it binds most

VAL 2, ILE 2, LEU 2, MET 2, PHE 2, THR 2, ASN 2, ASP 2, GLU 2, HIS 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
  • PEG · Di(hydroxyethyl)ether
  • PG4 · Tetraethylene glycol

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