BDBM10849 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3,7-trimethyl-3,7-dihydropurine-2,6-dione::CHEMBL113::Caffeine (1,3,7-trimethylxanthine)::caffeine

SMILES: Cn1cnc2c1C(=O)N(C(=O)N2C)C

InChI Key: InChIKey=RYYVLZVUVIJVGH-UHFFFAOYSA-N

Data: 156 KI  51 IC50  4 Kd  5 EC50

PDB links: 72 PDB IDs match this monomer.

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Substructure Similarity at least:  must be >=0.5 Exact match