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Ligand · HFF

HFF · 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide

HFF, 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide (C21 H24 N4 O3 S2, 444.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with…

Component
HFF
Formula
C21 H24 N4 O3 S2
Class
ligand
Structures
2
PDB entries
2

Binding sites

HFF in 2 structures; the first of them:

  • 7R1X · human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-h… · HFF AAA302 · binds ASN67, GLU69, PHE70, ASP72, ILE91, GLN92, HIS94, HIS96 and 10 more
  • 7YZH · Schistosoma Mansoni Carbonic Anhydrase in complex with… · HFF AAA404 · binds ARG96, ILE114, GLN115, HIS117, HIS119, GLU129, HIS142, VAL144 and 9 more

Residues it binds most

HIS 3, THR 3, VAL 3, GLU 3, ILE 3, SER 3, GLN 3, LEU 3, TRP 3, PHE 1 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • GOL · Glycerol
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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