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Ligand · A49

A49 · N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide

A49, N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide (C23 H30 F3 N3 O3, 453.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
A49
Formula
C23 H30 F3 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

A49 in 2 structures; the first of them:

  • 3FRJ · Crystal Structure of 11b-Hydroxysteroid Dehydrogenase-1 (11b-HSD1) in Complex with… · A49 B2 · binds TYR280, SER283, TYR284, ILE121, THR124, SER125, LEU126, SER170 and 16 more
  • 3FRJ · Crystal structure of 11B-hydroxysteroid dehydrogenase-1 (11B-HSD1) in complex with… · A49 B2 · binds TYR280, SER283, TYR284, ILE121, THR124, SER125, LEU126, SER170 and 16 more

Residues it binds most

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

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate

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