Sources and Releases

Data Sources

NameData typesVersionLast update
cancer.gov Drug Indications - Jul 12, 2024
PDB 3D Crystal Structures - Jul 10, 2024
clinicaltrials.gov Clinical Trials - Jun 28, 2024
UniProt Proteins 2024_02 Mar 27, 2024
BindingDB Compounds, Bioactivity Data - Oct 31, 2023
ChEMBL Compounds, Bioactivity Data ChEMBL 33 May 31, 2023
Phosphosite Interactions - Sep 9, 2022
canSAR ligandable interactions Interactions - Aug 20, 2022
IMEx Interactions - Aug 20, 2022
Signor2 Interactions - Apr 27, 2021

canSAR.ai 3D structure data timeline

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Data Counts

Type#
3D Structures
216,840 structures, 687,871 chains
Cancer studies
TCGA: 33
ICGC: 61
Cell Lines
35,672
Chemical Bioactivities
12,968,757 datapoints from 78,762 studies
Clinical Trials
497,284
Compounds
4,163,651 unique structures
Copy Number Alterations
DepMap: 34,530,423
ICGC/TCGA: 107,050,671
Gene Expression
TCGA: 218,210,403
DepMap: 23,118,260
Interactions by host
1,006,700 (human)
5,166 (coronavirus-human)
2,855 (Cov2)
1,560 (SARS)
607 (MERS)
144 (other coronavirus)
Interactions by type
Signalling pathways: 103,444
Enzymatic reactions: 9,203
Direct binding: 138,483
In same complex: 389,600
Transcriptional: 117,380
Drug Synergies: 12,118
Low confidence complex: 241,815