Ligand name: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID
PDB ligand accession: NHE
DrugBank: DB03309
PubChem: 66898;3852474;
ChEMBL: n/a
InChI Key: MKWKNSIESPFAQN-UHFFFAOYSA-N
SMILES: C1CCC(CC1)NCCS(=O)(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic nitrogen compounds
    • Class: Organonitrogen compounds
      • Subclass: Cyclohexylamines

List of PDB structures and/or AlphaFold models with target protein Q91MA7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6CEX	Download	Experimental	e6cexA1 e6cexA1 e6cexC1 e6cexB1 e6cexD1 e6cexE1 e6cexF1 e6cexC1 e6cexD1 e6cexE1 e6cexE1 e6cexF1 e6cexA1 e6cexB1	jelly-roll jelly-roll jelly-roll Hemagglutinin HA2 chain Hemagglutinin HA2 chain jelly-roll Hemagglutinin HA2 chain jelly-roll Hemagglutinin HA2 chain jelly-roll jelly-roll Hemagglutinin HA2 chain jelly-roll Hemagglutinin HA2 chain	LigPlot