Details of the Probe

General Information of Probe

Probe ID
LDPC0505
Probe Name
C275
Synonyms
Z4282859948
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 361.4
Lipid-water partition coefficient (xlogp) 0.9
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C16H19N5O3S
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-[2-(2,2-dioxo-1H-2lambda6,1,3-benzothiadiazol-3-yl)ethyl]propanamide
Canonical SMILES
C#CCCC1(N=N1)CCC(=O)NCCN2C3=CC=CC=C3NS2(=O)=O
InChI
InChI=1S/C16H19N5O3S/c1-2-3-9-16(19-20-16)10-8-15(22)17-11-12-21-14-7-5-4-6-13(14)18-25(21,23)24/h1,4-7,18H,3,8-12H2,(H,17,22)
InChIKey
XGPQDLKBPLDZTP-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

42 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
6-phosphogluconolactonase (PGLS) LDTP14535 5.90  LDD1945 
Acireductone dioxygenase (ADI1) LDTP11268 5.35  LDD1945 
Acyl-CoA 6-desaturase (FADS2) LDTP01699 5.54  LDD1945 
Catechol O-methyltransferase (COMT) LDTP03145 5.31  LDD1945 
Ceramide synthase 2 (CERS2) LDTP10329 6.82  LDD1945 
Cytochrome b5 type B (CYB5B) LDTP00697 7.21  LDD1945 
Cytochrome c oxidase assembly factor 7 (COA7) LDTP10137 7.36  LDD1945 
DNA-3-methyladenine glycosylase (MPG) LDTP03481 5.90  LDD1945 
Endoplasmic reticulum aminopeptidase 1 (ERAP1) LDTP12868 5.66  LDD1945 
Exonuclease 3'-5' domain-containing protein 2 (EXD2) LDTP12676 6.41  LDD1945 
Glutaredoxin-1 (GLRX) LDTP03786 83.87  LDD1945 
Glutaredoxin-3 (GLRX3) LDTP01374 10.48  LDD1945 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 11.16  LDD1945 
GMP synthase [glutamine-hydrolyzing] (GMPS) LDTP04333 5.10  LDD1945 
Holocytochrome c-type synthase (HCCS) LDTP04581 8.11  LDD1945 
Inactive hydroxysteroid dehydrogenase-like protein 1 (HSDL1) LDTP06787 4.99  LDD1945 
Isochorismatase domain-containing protein 1 (ISOC1) LDTP19851 16.11  LDD1945 
Kynurenine--oxoglutarate transaminase 3 (KYAT3) LDTP07763 14.03  LDD1945 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 5.66  LDD1945 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 5.46  LDD1945 
Lysophosphatidylserine lipase ABHD12 (ABHD12) LDTP08799 6.59  LDD1945 
Mitochondrial disaggregase (CLPB) LDTP11683 5.13  LDD1945 
Mitogen-activated protein kinase 14 (MAPK14) LDTP06547 4.92  LDD1945 
Oxygen-dependent coproporphyrinogen-III oxidase, mitochondrial (CPOX) LDTP03813 5.10  LDD1945 
Peroxisomal acyl-coenzyme A oxidase 1 (ACOX1) LDTP06307 5.70  LDD1945 
Phosphatidylserine decarboxylase proenzyme, mitochondrial (PISD) LDTP13220 6.06  LDD1945 
Probable glutathione peroxidase 8 (GPX8) LDTP09495 5.86  LDD1945 
Probable methyltransferase TARBP1 (TARBP1) LDTP05850 7.67  LDD1945 
Prostaglandin E synthase 2 (PTGES2) LDTP12040 19.56  LDD1945 
Protein farnesyltransferase subunit beta (FNTB) LDTP04247 5.50  LDD1945 
Pseudouridylate synthase RPUSD2 (RPUSD2) LDTP15370 14.72  LDD1945 
Retinol dehydrogenase 13 (RDH13) LDTP09061 6.50  LDD1945 
Ribosomal biogenesis protein LAS1L (LAS1L) LDTP14074 5.17  LDD1945 
Serine/threonine-protein phosphatase PGAM5, mitochondrial (PGAM5) LDTP10399 5.39  LDD1945 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 10.06  LDD1945 
Signal peptidase complex subunit 2 (SPCS2) LDTP06270 5.58  LDD1945 
Thioredoxin-related transmembrane protein 1 (TMX1) LDTP11874 6.11  LDD1945 
TLC domain-containing protein 1 (TLCD1) LDTP10182 5.86  LDD1945 
tRNA (uracil-5-)-methyltransferase homolog A (TRMT2A) LDTP08687 6.23  LDD1945 
Tudor-interacting repair regulator protein (NUDT16L1) LDTP11111 5.39  LDD1945 
Tyrosine-protein phosphatase non-receptor type 1 (PTPN1) LDTP02935 5.13  LDD1945 
Very long-chain specific acyl-CoA dehydrogenase, mitochondrial (ACADVL) LDTP04289 9.71  LDD1945 
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⏷ Show the Full List of 42 Enzyme
12 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Amino acid transporter heavy chain SLC3A2 (SLC3A2) LDTP02256 6.36  LDD1945 
Mitochondrial adenyl nucleotide antiporter SLC25A24 (SLC25A24) LDTP07472 5.90  LDD1945 
Mitochondrial carrier homolog 1 (MTCH1) LDTP12909 4.96  LDD1945 
Mitochondrial carrier homolog 2 (MTCH2) LDTP14235 6.73  LDD1945 
PRA1 family protein 2 (PRAF2) LDTP01060 6.28  LDD1945 
Reduced folate transporter (SLC19A1) LDTP03952 6.50  LDD1945 
Signal recognition particle 9 kDa protein (SRP9) LDTP04259 6.41  LDD1945 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 7.62  LDD1945 
Solute carrier family 25 member 33 (SLC25A33) LDTP11162 5.06  LDD1945 
Transmembrane protein 201 (TMEM201) LDTP07058 5.43  LDD1945 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 6.92  LDD1945 
Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 12.04  LDD1945 
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⏷ Show the Full List of 12 Transporter and channel
1 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Chromatin accessibility complex protein 1 (CHRAC1) LDTP12507 9.65  LDD1945 
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1 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
HLA class I histocompatibility antigen, C alpha chain (HLA-C) LDTP02491 5.50  LDD1945 
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18 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 5.17  LDD1945 
CDGSH iron-sulfur domain-containing protein 2 (CISD2) LDTP08902 5.03  LDD1945 
Cell division cycle-associated protein 2 (CDCA2) LDTP07345 7.21  LDD1945 
Clustered mitochondria protein homolog (CLUH) LDTP14486 5.66  LDD1945 
Clusterin (CLU) LDTP02526 5.21  LDD1945 
GH3 domain-containing protein (GHDC) LDTP08795 5.46  LDD1945 
Inner nuclear membrane protein Man1 (LEMD3) LDTP13913 5.03  LDD1945 
Kinesin light chain 1 (KLC1) LDTP05533 7.01  LDD1945 
Kinesin light chain 4 (KLC4) LDTP12591 5.98  LDD1945 
Lamina-associated polypeptide 2, isoform alpha (TMPO) LDTP03967 5.06  LDD1945 
Mitochondrial antiviral-signaling protein (MAVS) LDTP08058 5.39  LDD1945 
Neuferricin (CYB5D2) LDTP15623 5.35  LDD1945 
Peroxisomal membrane protein 11C (PEX11G) LDTP10381 6.45  LDD1945 
Reticulon-3 (RTN3) LDTP01522 6.06  LDD1945 
Splicing factor 3A subunit 1 (SF3A1) LDTP06393 8.22  LDD1945 
Structural maintenance of chromosomes protein 6 (SMC6) LDTP10810 4.92  LDD1945 
TraB domain-containing protein (TRABD) LDTP19963 5.86  LDD1945 
WD repeat-containing protein 43 (WDR43) LDTP06305 4.99  LDD1945 
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⏷ Show the Full List of 18 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
 LDD1945 
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