synpharm
A database of ligand-responsive protein sequences...

caffeine

BindingDB Ligand - 10849
BitterDB Ligand - 46
CAS Registry No. - 58-08-2
ChEBI - CHEBI:27732
ChEMBL Ligand - CHEMBL113
DrugBank Ligand - DB00201
Human Metabolome Database - HMDB01847
PharmGKB Drug - PA448710
Prestwick - Prestw-1256
PubChem CID - 2519
RCSB PDB Ligand - CFF
Wikipedia - Caffeine
PEP - caffeine
DrugCentral Ligand - 463
GPCRdb Ligand - 407
Structure
Molecular Details
Molecular mass (Da) 194.08037
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Polar surface area (A2) 58.44
Lipinski rules broken 0
logP -0.625
Other Details
Ligand type Natural product
Radiolabelled No
Approved Yes
Approval Source FDA (no history prior to 1999)
Responsive Sequences
A2A receptor (107 residues)