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 A0A076U3E6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4ZQG	Download	Experimental	e4zqgA1 e4zqgA2 e4zqgA3 e4zqgB1 e4zqgB2 e4zqgB3	Rossmann-like 1-deoxy-D-xylulose-5-phosphate reductoisomerase-C FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like 1-deoxy-D-xylulose-5-phosphate reductoisomerase-C	LigPlot
4ZQH	Download	Experimental	e4zqhA1 e4zqhA2 e4zqhA3 e4zqhB1 e4zqhB2 e4zqhB3	Rossmann-like 1-deoxy-D-xylulose-5-phosphate reductoisomerase-C FwdE/GAPDH domain-like FwdE/GAPDH domain-like Rossmann-like 1-deoxy-D-xylulose-5-phosphate reductoisomerase-C	LigPlot