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Ligand · BVY

BVY · (3aS,4S,6aR)-4-(5-{1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}pentyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one

BVY, (3aS,4S,6aR)-4-(5-{1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}pentyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one (C19 H24 F N5 O S, 389.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
BVY
Formula
C19 H24 F N5 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

BVY in 2 structures; the first of them:

  • 6AQQ · Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor · BVY A401 · binds SER93, THR94, GLN95, GLN116, LYS118, GLY119, ARG120, GLY121 and 10 more
  • 6AQQ · Crystal structure of staphylococcus aureus biotin protein ligase in complex with inhibitor · BVY A401 · binds SER93, THR94, GLN95, GLN116, GLY119, ARG120, ARG125, MET137 and 6 more

Residues it binds most

GLY 2, ARG 2, GLN 2, SER 2, LYS 2, ILE 2, MET 2, THR 2, HIS 1, TRP 1 (residue and the binding sites it lines).

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