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Ligand · 1KL

1KL · methyl (2Z)-(3-{4-[(4-tert-butylphenyl)carbamoyl]phenyl}-4-oxo-1,3-thiazolidin-2-ylidene)(cyano)acetate

1KL, methyl (2Z)-(3-{4-[(4-tert-butylphenyl)carbamoyl]phenyl}-4-oxo-1,3-thiazolidin-2-ylidene)(cyano)acetate (C24 H23 N3 O4 S, 449.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
1KL
Formula
C24 H23 N3 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1KL in 2 structures; the first of them:

  • 5HIN · Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18L compound · 1KL A408 · binds TYR38, LEU42, MET43, LEU46, PRO52, ALA55, HIS56, LEU58 and 14 more
  • 5HIN · Crystal structure of human dihydroorotate dehydrogenase (dhodh) with 18L compound · 1KL A408 · binds TYR38, LEU42, MET43, LEU46, PRO52, ALA55, HIS56, LEU58 and 14 more

Residues it binds most

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

Found with

  • FMN · Flavin mononucleotide
  • ORO · Orotic acid
  • SO4 · Sulfate ion
  • ACT · Acetate ion

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