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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
pH (ITC)
Substrate or Competitor
Compound Mol. Wt.
Chemical Structure
Pathways
Source Organism
Number of Compounds
Monomer List in csv
Het List in SDF
Compound
FDA Drugs
Important Compounds
Chemical Structure
Name
SMILES
Number of Data
/
Targets
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3D Structure Series
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Citation
Author
Journal/Citation
Institution
PubMed
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Special Data Sets
D3R
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Prot-Lig Validation Sets
Other Databases
PDB
85%
100%
Seq ID
UniProtKB/Swiss-Prot
UniProtKB/TrEMBL
PubMed
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All Compounds & Data
Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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Deposition
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Targets Binding with 18292 Compounds
Target Name
Commercially
Available
Compounds
Protein/Small Molecule
Other
Articles
UniProtKB/
Swiss-Prot/TrEMBL
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AffyNet
Ki
IC50
Kd
EC50
k
off
k
on
other
ITC
SDF
TSV
1
Cytochrome P450 3A4
568
2220
6486
42
51
0
0
0
0
0
1225
6
2D
3D
TSV
2
Delta-type opioid receptor (DOR)
68
2042
489
28
39
0
0
0
0
0
246
1
2D
3D
TSV
3
Opiate Delta 1
68
2042
489
28
39
0
0
0
0
0
246
1
2D
3D
TSV
4
Opioid receptor A
68
2042
489
28
39
0
0
0
0
0
246
1
2D
3D
TSV
5
Opioid receptors; mu & delta
68
2042
489
28
39
0
0
0
0
0
246
1
2D
3D
TSV
Sub total
840
10388
8442
154
207
0
0
0
0
0
Total
19191