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Famous Dockings
Custom Docking1IEP · BCR-ABL Kinase
First targeted tyrosine kinase inhibitor for chronic myeloid leukemia.
4HG7 · MDM2
Reactivates p53 tumor suppressor by inhibiting MDM2.
5IKR · COX-2
World's most widely used drug. Inhibits cyclooxygenase.
3RFM · Adenosine A2A Receptor
Blocks adenosine receptors, preventing drowsiness.
1UDT · PDE5
PDE5 inhibitor. Originally for hypertension, famously repurposed.
2HT8 · Neuraminidase
Tamiflu — frontline influenza antiviral.
7BV2 · RNA-dependent RNA Polymerase
COVID-19 drug. Terminates viral RNA replication.
1MUI · HIV-1 Protease
HIV protease inhibitor for antiretroviral therapy.
1JFF · Tubulin
Taxol — stabilizes microtubules to halt cell division.
4CFF · AMPK
Most prescribed diabetes drug globally.
3ERT · Estrogen Receptor α
Selective estrogen receptor modulator for breast cancer.
2RG6 · Acetylcholinesterase
Aricept — first-line Alzheimer's treatment.
3NYA · EGFR Kinase
EGFR inhibitor for non-small cell lung cancer.
3OGP · HMG-CoA Reductase
Lipitor — best-selling drug in history.
2ITO · Dihydrofolate Reductase
Antimetabolite chemotherapy. Blocks folate metabolism.
1PWC · Penicillin-Binding Protein
Started the antibiotic revolution.