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Ligand · 3SH

3SH · ethyl 2-[(3-chloro-4-methylphenyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate

3SH, ethyl 2-[(3-chloro-4-methylphenyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate (C19 H17 Cl N2 O2 S, 372.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
3SH
Formula
C19 H17 Cl N2 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3SH in 2 structures; the first of them:

  • 4RLI · Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A048 · 3SH A403 · binds LEU46, GLN47, PRO52, ALA55, HIS56, ALA59, THR63, LEU68 and 8 more
  • 4RLI · Crystal structure of human dihydroorotate dehydrogenase (dhodh) with DH03A048 · 3SH A403 · binds LEU46, GLN47, PRO52, ALA55, HIS56, ALA59, THR63, LEU68 and 8 more

Residues it binds most

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

Found with

  • FMN · Flavin mononucleotide
  • ORO · Orotic acid

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