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: inhibitor

ClassyFire chemical classification:

List of PDB structures and/or AlphaFold models with target protein P21589

PDB/AF Accession PyMOL script Experimental / Predicted Interacting ECOD domains ECOD X-group name LigPlot
7PBB Download Experimental e7pbbA1
e7pbbA2
Carbon-nitrogen hydrolase-like
5'-nucleotidase (syn. UDP-sugar hydrolase), C-terminal domain
LigPlot