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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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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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Deposition
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Targets Binding with 140 Compounds
Target Name
Affinity Link(s)
Article(s)
UniProt
Files
Alpha 2B adrenergic receptor
Ki:
3
1
1
2D
3D
TSV
Calcitonin gene-related peptide (CGRP alpha)
Ki:
64
IC50:
88
EC50:
1
6
0
2D
3D
TSV
Calcitonin gene-related peptide 1
Ki:
68
IC50:
90
EC50:
1
8
1
2D
3D
TSV
CGRP
Ki:
78
IC50:
90
EC50:
1
9
4
2D
3D
TSV
Component of peroxynitrite reductase/peroxidase complex
Ki:
5
IC50:
146
Other:
1
3
6
2D
3D
TSV
Dihydrolipoyl dehydrogenase (Lpd)
Ki:
5
IC50:
146
Other:
1
3
6
2D
3D
TSV
Dihydrolipoyl dehydrogenase (Lpd) A181V
Ki:
5
IC50:
146
Other:
1
3
6
2D
3D
TSV
Dihydrolipoyl dehydrogenase (Lpd) A290R
Ki:
5
IC50:
146
Other:
1
3
6
2D
3D
TSV
Dihydrolipoyl dehydrogenase (Lpd) F269R
Ki:
5
IC50:
146
Other:
1
3
6
2D
3D
TSV
Dihydrolipoyl dehydrogenase (Lpd) G312A, L313G, L314P, Q315M
Ki:
5
IC50:
146
Other:
1
3
6
2D
3D
TSV
Dihydrolipoyl dehydrogenase (Lpd) L314P
Ki:
5
IC50:
146
Other:
1
3
6
2D
3D
TSV
Dihydrolipoyl dehydrogenase (Lpd) N209V
Ki:
5
IC50:
146
Other:
1
3
6
2D
3D
TSV
Dihydrolipoyl dehydrogenase (Lpd) R147T
Ki:
5
IC50:
146
Other:
1
3
6
2D
3D
TSV
Dihydrolipoyl dehydrogenase (Lpd) R347S
Ki:
5
IC50:
146
Other:
1
3
6
2D
3D
TSV
Lipoamide Dehydrogenase (Lpd)
Ki:
5
IC50:
146
Other:
1
3
6
2D
3D
TSV