Details of the Probe

General Information of Probe

Probe ID
LDPC0272
Probe Name
C002
Synonyms
Z4282859887
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 400.5
Lipid-water partition coefficient (xlogp) 1.1
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C18H20N6O3S
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-[2-(4-methylpyrazol-1-yl)-5-sulfamoylphenyl]propanamide
Canonical SMILES
CC1=CN(N=C1)C2=C(C=C(C=C2)S(=O)(=O)N)NC(=O)CCC3(N=N3)CCC#C
InChI
InChI=1S/C18H20N6O3S/c1-3-4-8-18(22-23-18)9-7-17(25)21-15-10-14(28(19,26)27)5-6-16(15)24-12-13(2)11-20-24/h1,5-6,10-12H,4,7-9H2,2H3,(H,21,25)(H2,19,26,27)
InChIKey
YSKYVUCTCQZZCT-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

28 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
2-iminobutanoate/2-iminopropanoate deaminase (RIDA) LDTP04529 12.38  LDD1712 
2-iminobutanoate/2-iminopropanoate deaminase (RIDA) LDTP04529 12.38  LDD1712 
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 4.92  LDD1712 
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 4.92  LDD1712 
Carboxymethylenebutenolidase homolog (CMBL) LDTP10215 5.78  LDD1712 
Carboxymethylenebutenolidase homolog (CMBL) LDTP10215 5.78  LDD1712 
CTP synthase 2 (CTPS2) LDTP12505 6.87  LDD1712 
CTP synthase 2 (CTPS2) LDTP12505 6.87  LDD1712 
DCN1-like protein 4 (DCUN1D4) LDTP09799 9.13  LDD1712 
DCN1-like protein 4 (DCUN1D4) LDTP09799 9.13  LDD1712 
Endoplasmic reticulum aminopeptidase 1 (ERAP1) LDTP12868 5.43  LDD1712 
Endoplasmic reticulum aminopeptidase 1 (ERAP1) LDTP12868 5.43  LDD1712 
Ferrochelatase, mitochondrial (FECH) LDTP03198 6.92  LDD1712 
Ferrochelatase, mitochondrial (FECH) LDTP03198 6.92  LDD1712 
Heme oxygenase 2 (HMOX2) LDTP03540 10.63  LDD1712 
Heme oxygenase 2 (HMOX2) LDTP03540 10.63  LDD1712 
Histone acetyltransferase type B catalytic subunit (HAT1) LDTP00479 5.62  LDD1712 
Histone acetyltransferase type B catalytic subunit (HAT1) LDTP00479 5.62  LDD1712 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 11.39  LDD1712 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 11.39  LDD1712 
Peptidyl-prolyl cis-trans isomerase FKBP10 (FKBP10) LDTP10101 8.57  LDD1712 
Peptidyl-prolyl cis-trans isomerase FKBP10 (FKBP10) LDTP10101 8.57  LDD1712 
Protein O-linked-mannose beta-1,4-N-acetylglucosaminyltransferase 2 (POMGNT2) LDTP09031 28.64  LDD1712 
Protein O-linked-mannose beta-1,4-N-acetylglucosaminyltransferase 2 (POMGNT2) LDTP09031 28.64  LDD1712 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 6.63  LDD1712 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 6.63  LDD1712 
SET domain-containing protein 4 (SETD4) LDTP12670 6.36  LDD1712 
SET domain-containing protein 4 (SETD4) LDTP12670 6.36  LDD1712 
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⏷ Show the Full List of 28 Enzyme
16 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 5.86  LDD1712 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 5.86  LDD1712 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 6.59  LDD1712 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 6.59  LDD1712 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 5.13  LDD1712 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 5.13  LDD1712 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 5.31  LDD1712 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 5.31  LDD1712 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 57.28  LDD1712 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 57.28  LDD1712 
Sideroflexin-4 (SFXN4) LDTP07531 5.10  LDD1712 
Sideroflexin-4 (SFXN4) LDTP07531 5.10  LDD1712 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 6.45  LDD1712 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 6.45  LDD1712 
Transmembrane protein 126A (TMEM126A) LDTP15948 6.63  LDD1712 
Transmembrane protein 126A (TMEM126A) LDTP15948 6.63  LDD1712 
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⏷ Show the Full List of 16 Transporter and channel
22 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 6.19  LDD1712 
Apolipoprotein L2 (APOL2) LDTP11076 6.19  LDD1712 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 10.41  LDD1712 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 10.41  LDD1712 
Clustered mitochondria protein homolog (CLUH) LDTP14486 4.96  LDD1712 
Clustered mitochondria protein homolog (CLUH) LDTP14486 4.96  LDD1712 
CYFIP-related Rac1 interactor B (CYRIB) LDTP12642 5.10  LDD1712 
CYFIP-related Rac1 interactor B (CYRIB) LDTP12642 5.10  LDD1712 
Large ribosomal subunit protein mL40 (MRPL40) LDTP12395 6.45  LDD1712 
Large ribosomal subunit protein mL40 (MRPL40) LDTP12395 6.45  LDD1712 
Large ribosomal subunit protein uL10m (MRPL10) LDTP08154 6.87  LDD1712 
Large ribosomal subunit protein uL10m (MRPL10) LDTP08154 6.87  LDD1712 
Mitochondrial fission process protein 1 (MTFP1) LDTP16192 12.38  LDD1712 
Mitochondrial fission process protein 1 (MTFP1) LDTP16192 12.38  LDD1712 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 7.84  LDD1712 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 7.84  LDD1712 
Neudesin (NENF) LDTP13630 6.87  LDD1712 
Neudesin (NENF) LDTP13630 6.87  LDD1712 
Phosphatidylethanolamine-binding protein 1 (PEBP1) LDTP03520 10.41  LDD1712 
Phosphatidylethanolamine-binding protein 1 (PEBP1) LDTP03520 10.41  LDD1712 
Tudor and KH domain-containing protein (TDRKH) LDTP13922 4.96  LDD1712 
Tudor and KH domain-containing protein (TDRKH) LDTP13922 4.96  LDD1712 
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⏷ Show the Full List of 22 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
 LDD1712 
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