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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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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 360 Compounds
Target Name
Affinity Link(s)
Article(s)
UniProt
Files
Env polyprotein
IC50:
155
Kd:
26
EC50:
194
3
3
2D
3D
TSV
Envelope glycoprotein gp160
IC50:
157
Kd:
26
EC50:
213
5
6
2D
3D
TSV
Glycoprotein 120
IC50:
155
Kd:
26
EC50:
194
3
3
2D
3D
TSV
Glycoprotein 41
IC50:
155
Kd:
26
EC50:
194
3
3
2D
3D
TSV
gp120
IC50:
155
Kd:
26
EC50:
194
3
3
2D
3D
TSV
GP41
IC50:
8
Kd:
3
EC50:
29
3
1
2D
3D
TSV
Sodium/calcium exchanger 1(NCX1)
IC50:
390
1
13
2D
3D
TSV
SU
IC50:
155
Kd:
26
EC50:
194
3
3
2D
3D
TSV
Surface protein gp120
IC50:
155
Kd:
26
EC50:
194
3
3
2D
3D
TSV
TM
IC50:
155
Kd:
26
EC50:
194
3
3
2D
3D
TSV
Transmembrane protein gp41
IC50:
155
Kd:
26
EC50:
194
3
3
2D
3D
TSV