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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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Author
Journal/Citation
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PDB
85%
100%
Seq ID
UniProtKB/Swiss-Prot
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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 67 Compounds
Target Name
Affinity Link(s)
Article(s)
UniProt
Files
AAC2
IC50:
1
1
1
2D
3D
TSV
Arylamide acetylase 2
IC50:
1
1
1
2D
3D
TSV
Arylamine N-acetyltransferase 2
IC50:
68
2
3
2D
3D
TSV
AT-2
IC50:
1
1
1
2D
3D
TSV
CASP-2
Ki:
18
IC50:
66
EC50:
7
10
12
2D
3D
TSV
Caspase-2
Ki:
18
IC50:
66
EC50:
7
10
12
2D
3D
TSV
Caspase-2 subunit p12
Ki:
18
IC50:
66
EC50:
7
10
12
2D
3D
TSV
Caspase-2 subunit p13
Ki:
18
IC50:
66
EC50:
7
10
12
2D
3D
TSV
Caspase-2 subunit p18
Ki:
18
IC50:
66
EC50:
7
10
12
2D
3D
TSV
CGD91-phox
Ki:
19
IC50:
48
5
4
2D
3D
TSV
Cytochrome b(558) subunit beta
Ki:
19
IC50:
48
5
4
2D
3D
TSV
Cytochrome b-245 heavy chain
Ki:
19
IC50:
48
5
4
2D
3D
TSV
Cytochrome b-245, beta polypeptide [Homo sapiens]
Ki:
19
IC50:
48
5
4
2D
3D
TSV
Cytochrome b558 subunit beta
Ki:
19
IC50:
48
5
4
2D
3D
TSV
G-protein coupled receptor GT01
IC50:
1
EC50:
87
7
1
2D
3D
TSV
Gal-7
Kd:
72
5
3
2D
3D
TSV
Galectin-7
Kd:
72
5
3
2D
3D
TSV
gp91-1
Ki:
19
IC50:
48
5
4
2D
3D
TSV
gp91-phox
Ki:
19
IC50:
48
5
4
2D
3D
TSV
Gpr120
IC50:
1
EC50:
87
7
1
2D
3D
TSV
Heme-binding membrane glycoprotein gp91phox
Ki:
19
IC50:
48
5
4
2D
3D
TSV
HKL-14
Kd:
72
5
3
2D
3D
TSV
ICH-1 protease
Ki:
18
IC50:
66
EC50:
7
10
12
2D
3D
TSV
ICH-1L/1S
Ki:
18
IC50:
66
EC50:
7
10
12
2D
3D
TSV
MurB (E. coli)
IC50:
72
3
3
2D
3D
TSV
N-acetyltransferase type 2
IC50:
1
1
1
2D
3D
TSV
NADPH oxidase 2
Ki:
19
IC50:
48
5
4
2D
3D
TSV
NADPH oxidase 2 (NOX2)
Ki:
19
IC50:
48
5
4
2D
3D
TSV
NAT-2
IC50:
1
1
1
2D
3D
TSV
NAT2
IC50:
1
1
1
2D
3D
TSV
NEDD-2
Ki:
18
IC50:
66
EC50:
7
10
12
2D
3D
TSV
Neural precursor cell expressed developmentally down-regulated protein 2
Ki:
18
IC50:
66
EC50:
7
10
12
2D
3D
TSV
Neutrophil cytochrome b 91 kDa polypeptide
Ki:
19
IC50:
48
5
4
2D
3D
TSV
p22 phagocyte B-cytochrome
Ki:
19
IC50:
48
5
4
2D
3D
TSV
P2X purinoceptor 1
Ki:
7
IC50:
51
Kd:
3
EC50:
23
19
6
2D
3D
TSV
p53-induced gene 1 protein
Kd:
72
5
3
2D
3D
TSV
Phosphodiesterase 2A
Ki:
1
IC50:
69
Kd:
1
EC50:
1
15
4
2D
3D
TSV
PI7
Kd:
72
5
3
2D
3D
TSV
PNAT
IC50:
1
1
1
2D
3D
TSV
Polymorphic arylamine N-acetyltransferase
IC50:
1
1
1
2D
3D
TSV
Ribonuclease A
Ki:
15
IC50:
4
6
10
2D
3D
TSV
Ribonuclease pancreatic
Ki:
15
IC50:
4
6
10
2D
3D
TSV
Ricin
IC50:
68
EC50:
3
6
3
2D
3D
TSV
RNAse A
Ki:
70
IC50:
8
Kd:
1
ITC:
4
15
14
2D
3D
TSV
Superoxide-generating NADPH oxidase heavy chain subunit
Ki:
19
IC50:
48
5
4
2D
3D
TSV
UDP-N-acetylmuramate dehydrogenase
IC50:
72
3
3
2D
3D
TSV