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

14 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
2-iminobutanoate/2-iminopropanoate deaminase (RIDA) LDTP04529 12.38  LDD1712 
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 4.92  LDD1712 
Carboxymethylenebutenolidase homolog (CMBL) LDTP10215 5.78  LDD1712 
CTP synthase 2 (CTPS2) LDTP12505 6.87  LDD1712 
DCN1-like protein 4 (DCUN1D4) LDTP09799 9.13  LDD1712 
Endoplasmic reticulum aminopeptidase 1 (ERAP1) LDTP12868 5.43  LDD1712 
Ferrochelatase, mitochondrial (FECH) LDTP03198 6.92  LDD1712 
Heme oxygenase 2 (HMOX2) LDTP03540 10.63  LDD1712 
Histone acetyltransferase type B catalytic subunit (HAT1) LDTP00479 5.62  LDD1712 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 11.39  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 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 6.63  LDD1712 
SET domain-containing protein 4 (SETD4) LDTP12670 6.36  LDD1712 
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⏷ Show the Full List of 14 Enzyme
8 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 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 6.59  LDD1712 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 5.13  LDD1712 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 5.31  LDD1712 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 57.28  LDD1712 
Sideroflexin-4 (SFXN4) LDTP07531 5.10  LDD1712 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 6.45  LDD1712 
Transmembrane protein 126A (TMEM126A) LDTP15948 6.63  LDD1712 
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⏷ Show the Full List of 8 Transporter and channel
11 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 6.19  LDD1712 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 10.41  LDD1712 
Clustered mitochondria protein homolog (CLUH) LDTP14486 4.96  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 uL10m (MRPL10) LDTP08154 6.87  LDD1712 
Mitochondrial fission process protein 1 (MTFP1) LDTP16192 12.38  LDD1712 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 7.84  LDD1712 
Neudesin (NENF) LDTP13630 6.87  LDD1712 
Phosphatidylethanolamine-binding protein 1 (PEBP1) LDTP03520 10.41  LDD1712 
Tudor and KH domain-containing protein (TDRKH) LDTP13922 4.96  LDD1712 
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⏷ Show the Full List of 11 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