Details of the Probe

General Information of Probe

Probe ID
LDPC0335
Probe Name
C083
Synonyms
Z4286591589
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 404.5
Lipid-water partition coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C22H20N4O2S
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-oxo-1,2-benzothiazol-2-yl)-2-phenylacetamide
Canonical SMILES
C#CCCC1(N=N1)CCNC(=O)C(C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4S3
InChI
InChI=1S/C22H20N4O2S/c1-2-3-13-22(24-25-22)14-15-23-20(27)19(16-9-5-4-6-10-16)26-21(28)17-11-7-8-12-18(17)29-26/h1,4-12,19H,3,13-15H2,(H,23,27)
InChIKey
CPSDVKFZOUJZTD-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

16 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 8.00  LDD1775 
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 8.00  LDD1775 
Epoxide hydrolase 1 (EPHX1) LDTP02175 5.66  LDD1775 
Epoxide hydrolase 1 (EPHX1) LDTP02175 5.66  LDD1775 
Heme oxygenase 2 (HMOX2) LDTP03540 5.10  LDD1775 
Heme oxygenase 2 (HMOX2) LDTP03540 5.10  LDD1775 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 9.99  LDD1775 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 9.99  LDD1775 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 5.70  LDD1775 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 5.70  LDD1775 
Peptidyl-prolyl cis-trans isomerase FKBP7 (FKBP7) LDTP14218 10.13  LDD1775 
Peptidyl-prolyl cis-trans isomerase FKBP7 (FKBP7) LDTP14218 10.13  LDD1775 
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (FNTA) LDTP04246 8.63  LDD1775 
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (FNTA) LDTP04246 8.63  LDD1775 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 6.63  LDD1775 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 6.63  LDD1775 
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⏷ Show the Full List of 16 Enzyme
14 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP synthase subunit a (MT-ATP6) LDTP01804 7.94  LDD1775 
ATP synthase subunit a (MT-ATP6) LDTP01804 7.94  LDD1775 
B-cell receptor-associated protein 29 (BCAP29) LDTP16201 7.78  LDD1775 
B-cell receptor-associated protein 29 (BCAP29) LDTP16201 7.78  LDD1775 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 7.84  LDD1775 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 7.84  LDD1775 
Metaxin-3 (MTX3) LDTP14970 9.92  LDD1775 
Metaxin-3 (MTX3) LDTP14970 9.92  LDD1775 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 7.16  LDD1775 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 7.16  LDD1775 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 5.78  LDD1775 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 5.78  LDD1775 
Transmembrane protein 199 (TMEM199) LDTP08881 5.06  LDD1775 
Transmembrane protein 199 (TMEM199) LDTP08881 5.06  LDD1775 
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⏷ Show the Full List of 14 Transporter and channel
10 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 8.17  LDD1775 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 8.17  LDD1775 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 6.41  LDD1775 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 6.41  LDD1775 
Mediator of RNA polymerase II transcription subunit 25 (MED25) LDTP07906 5.24  LDD1775 
Mediator of RNA polymerase II transcription subunit 25 (MED25) LDTP07906 5.24  LDD1775 
NLR family member X1 (NLRX1) LDTP08248 5.35  LDD1775 
NLR family member X1 (NLRX1) LDTP08248 5.35  LDD1775 
Rap guanine nucleotide exchange factor 2 (RAPGEF2) LDTP14058 6.41  LDD1775 
Rap guanine nucleotide exchange factor 2 (RAPGEF2) LDTP14058 6.41  LDD1775 
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⏷ Show the Full List of 10 Other

Full Information of The Labelling Profiles of This Probe

Quantification: AfBPP Probe vs Negative Probe
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
Probe:50uM; negative probe:50uM
Quantitative Method
TMT
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Peripheral blood
Disease Model
Normal
Model Name
Human normal cells (HEK-293T)
Note
Negative probe:C#CCCC1(CCC(NC)=O)N=N1
Interaction Atlas ID
 LDD1775 
Download The Altas

References

1 Large-scale chemoproteomics expedites ligand discovery and predicts ligand behavior in cells. Science. 2024 Apr 26;384(6694):eadk5864. doi: 10.1126/science.adk5864. Epub 2024 Apr 26.
Mass spectrometry data entry: PXD041587