Ligand name: CAFFEINE
PDB ligand accession: CFF
DrugBank: DB00201
PubChem: 2519
ChEMBL: CHEMBL113
InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N
SMILES: Cn1cnc2c1C(=O)N(C(=O)N2C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Imidazopyrimidines
      • Subclass: Purines and purine derivatives

List of PDB structures and/or AlphaFold models with target protein P11716

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5TA3	Download	Experimental	e5ta3B1 e5ta3G1 e5ta3I1 e5ta3E1	Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels	LigPlot
5T9V	Download	Experimental	e5t9vB1 e5t9vG1 e5t9vI1 e5t9vE1	Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels	LigPlot
5TAV	Download	Experimental	e5tavB1 e5tavE1 e5tavI1 e5tavG1	Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels	LigPlot
5TAT	Download	Experimental	e5tatB1 e5tatI1 e5tatE1 e5tatG1	Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels	LigPlot
5TAL	Download	Experimental	e5talB1 e5talG1 e5talI1 e5talE1	Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels	LigPlot
5TAN	Download	Experimental	e5tanB1 e5tanE1 e5tanI1 e5tanG1	Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels	LigPlot
5TAM	Download	Experimental	e5tamB1 e5tamE1 e5tamI1 e5tamG1	Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels	LigPlot
5TAU	Download	Experimental	e5tauB1 e5tauI1 e5tauE1 e5tauG1	Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels	LigPlot
5TAQ	Download	Experimental	e5taqB1 e5taqE1 e5taqI1 e5taqG1	Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels	LigPlot
5TAP	Download	Experimental	e5tapB1 e5tapE1 e5tapI1 e5tapG1	Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels	LigPlot
5TAS	Download	Experimental	e5tasB1 e5tasI1 e5tasE1 e5tasG1	Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels	LigPlot