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Ligand · JS3

JS3 · 2-chloro-4-methyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide

JS3, 2-chloro-4-methyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide (C15 H11 Cl N2 O S, 302.8 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, the…

Component
JS3
Formula
C15 H11 Cl N2 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

JS3 in 2 structures; the first of them:

  • 4JS3 · Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 057 · JS3 A403 · binds TYR38, LEU42, MET43, ALA59, PHE62, THR63, LEU67, LEU68 and 6 more
  • 4JS3 · Crystal structure of human dihydroorotate dehydrogenase (dhodh) with 057 · JS3 A403 · binds TYR38, LEU42, MET43, ALA59, PHE62, THR63, LEU67, LEU68 and 6 more

Residues it binds most

LEU 2, MET 2, PHE 2, PRO 2, ALA 2, GLY 2, THR 2, TYR 2 (residue and the binding sites it lines).

Found with

  • FMN · Flavin mononucleotide
  • ORO · Orotic acid
  • SO4 · Sulfate ion
  • ACY · Acetic acid

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