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can SAR .ai

The integrated knowledge-base that brings together multidisciplinary data across biology, chemistry, pharmacology, structural biology, cellular networks and clinical annotations, and applies machine learning approaches to provide drug-discovery useful predictions.

We are in a transition period moving to MD Anderson Cancer Center. There might be glitches while we finalize this and if you find any issues, please contact us via email

Version: 1.6.6

Chemical Search

Substructure and similarity searches against
the canSAR.ai chemical database
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  • Protein
  • Cell Lines
  • Drugs & Compounds
  • Diseases
  • 3D Structures
  • Protein Families
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FUNDING

canSAR.ai is made possible through the help of:

MD Anderson Cancer Center LydaHill Philanthropies Foundation CRUK

DATA PARTNERS

Organizations that help canSAR.ai with data:

DepMap PDBe DataBank ChEMBL Chemical Probes Portal

CITE canSAR

Kindly cite canSAR:

canSAR: update to the cancer translational research and drug discovery knowledgebase, Patrizio di Micco, Albert A Antolin, Costas Mitsopoulos, Eloy Villasclaras-Fernandez, Domenico Sanfelice, Daniela Dolciami, Pradeep Ramagiri, Ioan L Mica, Joseph E Tym, Philip W Gingrich, Huabin Hu, Paul Workman, Bissan Al-Lazikani Nucl. Acids Res. 2023 Jan 6;51(D1):D1212-D1219. DOI: 10.1093/nar/gkac1004

Latest data release for canSAR.ai

Release date: Apr 10, 2024

3D Structures: 200,600 (added 188)
PDB bioassemblies: 1,592,157 (added 1,590)
PDB Chains: 576,912 (added 694)
Cavities in PDB chains: 6,196,526 (added 8,571)
Druggable Cavities: 248,603 (added 351)
Protein families: 7,521 (added 0)

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