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Ligand · B68

B68 · (2S)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

B68, (2S)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide (C19 H18 F3 N3 O6, 441.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
B68
Formula
C19 H18 F3 N3 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

B68 in 2 structures; the first of them:

  • 3B68 · Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-4 · B68 A1 · binds LEU701, LEU704, ASN705, LEU707, GLY708, GLN711, GLN738, TRP741 and 16 more
  • 3B68 · Crystal structure of the androgen receptor ligand binding domain in complex with sarm S-4 · B68 A1 · binds LEU701, LEU704, ASN705, LEU707, GLY708, GLN711, GLN738, TRP741 and 16 more

Residues it binds most

MET 2, LEU 2, GLN 2, ILE 2, PHE 2, VAL 2, ARG 2, ASN 2, GLY 2, HIS 2 (residue and the binding sites it lines).

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