Sources and Releases

Data Sources

Name	Data types	Version	Last update
cancer.gov	Drug Indications		Oct 21, 2024
clinicaltrials.gov	Clinical Trials		Oct 21, 2024
PDB	3D Crystal Structures		Oct 16, 2024
GTEx	Expression	-	Sep 6, 2024
TARGET	Mutations, Expression	-	Sep 6, 2024
TCGA	Mutations, Expression	-	Sep 6, 2024
InnateDB	Interactions	-	Aug 7, 2024
UniProt	Proteins	2024_04	Jul 24, 2024
ChEMBL	Compounds, Bioactivity Data	ChEMBL 34	Mar 28, 2024
intact	Interactions	-	Feb 16, 2024

canSAR.ai 3D structure data timeline

*Select a region to zoom. **Click chart point to view release details

canSAR.ai 3D structure data releases

Release date: Oct 16, 2024

3D Structures: 203,971 (added 208)

PDB bioassemblies: 1,639,125 (added 1,670)

PDB Chains: 591,805 (added 774)

Cavities in PDB chains: 6,455,846 (added 9,294)

Druggable Cavities: 664,688 (added 938)

Protein families: 7,621 (added 4)

Data Counts

Type	#
3D Structures	220,056 structures, 701,973 chains
Cancer studies	TCGA: 33 TARGET:7 GTEx:54
Cell Lines	35,672
Chemical Bioactivities	13,299,072 datapoints from 79,811 studies
Clinical Trials	512,835
Compounds	4,540,982 unique structures
Copy Number Alterations	DepMap: 34,530,423 ICGC/TCGA: 107,050,671
Gene Expression	TCGA: 640,986,905 DepMap: 23,118,260
Interactions by host	1,012,052 (human)
Interactions by type	Signalling pathways: 11 Enzymatic reactions: 24,007 Direct binding: 25,398 In same complex: 235,299 Transcriptional: 11,865 Drug Synergies: 12,118 Low confidence complex: 715,472