Caffeine
SMILES Cn1c(=O)c2c(ncn2C)n(C)c1=O
Structure
2D skeletal formula · rendered by chemkit from PubChem 2D coordinates.
Pseudo-3D ball-and-stick · chemkit, from PubChem 3D conformer coordinates.
Protein targets · 4 targets
- Adenosine receptor A1 P30542 · antagonist · Adenosine receptor antagonist
- Adenosine receptor A2b P29275 · antagonist · Adenosine receptor antagonist
- Adenosine receptor A3 P0DMS8 · antagonist · Adenosine receptor antagonist
- Adenosine receptor A2a P29274 · antagonist · Adenosine receptor antagonist
Each resolved target links to its lmmol protein document; action and mechanism are from the bioactivity record.
A document in the lmmol reference corpus — a real compound (PubChem / ChEMBL identity, chemkit-rendered structure) cross-linked to the protein documents it targets. Hover any link to preview its target.