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Ligand · A21

A21 · (5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5H)-one

A21, (5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5H)-one (C13 H12 F4 N2 O S, 320.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
A21
Formula
C13 H12 F4 N2 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

A21 in 2 structures; the first of them:

  • 3BZU · Crystal structure of human 11-beta-hydroxysteroid dehydrogenase(HSD1) in complex with… · A21 A293 · binds ILE121, THR124, SER125, LEU126, SER170, LEU171, ALA172, TYR177 and 9 more
  • 3BZU · Crystal structure of human 11-beta-hydroxysteroid DEHYDROGENASE(HSD1) in complex with… · A21 A293 · binds ILE121, THR124, SER125, LEU126, SER170, LEU171, ALA172, TYR177 and 9 more

Residues it binds most

LEU 8, ALA 8, SER 8, TYR 8, VAL 8, GLY 8, ILE 8, THR 8, MET 6 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate

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