Details of the Probe

General Information of Probe

Probe ID
LDPC0572
Probe Name
C351
Synonyms
Z4282860010
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 362.4
Lipid-water partition coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C17H22N4O3S
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(4-sulfamoylphenyl)propan-2-yl]propanamide
Canonical SMILES
CC(CC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)CCC2(N=N2)CCC#C
InChI
InChI=1S/C17H22N4O3S/c1-3-4-10-17(20-21-17)11-9-16(22)19-13(2)12-14-5-7-15(8-6-14)25(18,23)24/h1,5-8,13H,4,9-12H2,2H3,(H,19,22)(H2,18,23,24)
InChIKey
ZAPUOBBETIQDBW-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

25 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 8.22  LDD2012 
Delta(14)-sterol reductase LBR (LBR) LDTP06200 5.94  LDD2012 
Delta(24)-sterol reductase (DHCR24) LDTP06375 13.00  LDD2012 
Dihydrofolate reductase (DHFR) LDTP01769 25.28  LDD2012 
Endoplasmic reticulum aminopeptidase 1 (ERAP1) LDTP12868 6.32  LDD2012 
Epoxide hydrolase 1 (EPHX1) LDTP02175 16.22  LDD2012 
Histone-lysine N-methyltransferase 2A (KMT2A) LDTP05396 8.63  LDD2012 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 8.51  LDD2012 
Lysine-specific histone demethylase 2 (KDM1B) LDTP09043 6.77  LDD2012 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 7.84  LDD2012 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.98  LDD2012 
Medium-chain specific acyl-CoA dehydrogenase, mitochondrial (ACADM) LDTP02565 9.51  LDD2012 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 21.86  LDD2012 
Peptidyl-prolyl cis-trans isomerase FKBP10 (FKBP10) LDTP10101 7.67  LDD2012 
Peptidyl-prolyl cis-trans isomerase FKBP1A (FKBP1A) LDTP05029 6.19  LDD2012 
Peroxisomal trans-2-enoyl-CoA reductase (PECR) LDTP11437 5.10  LDD2012 
Phosphatidylinositol 4-kinase beta (PI4KB) LDTP13112 7.94  LDD2012 
Phospholipase A2 group XV (PLA2G15) LDTP09088 12.38  LDD2012 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 7.01  LDD2012 
Proteasome subunit alpha type-2 (PSMA2) LDTP03331 20.11  LDD2012 
Proteasome subunit beta type-4 (PSMB4) LDTP03417 5.62  LDD2012 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 12.82  LDD2012 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 5.35  LDD2012 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 27.10  LDD2012 
Squalene synthase (FDFT1) LDTP03842 9.00  LDD2012 
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⏷ Show the Full List of 25 Enzyme
6 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP synthase subunit a (MT-ATP6) LDTP01804 7.73  LDD2012 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.39  LDD2012 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 9.99  LDD2012 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 5.62  LDD2012 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 11.88  LDD2012 
Transmembrane protein 199 (TMEM199) LDTP08881 5.86  LDD2012 
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⏷ Show the Full List of 6 Transporter and channel
7 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Centrosomal protein 43 (CEP43) LDTP01652 6.19  LDD2012 
Craniofacial development protein 1 (CFDP1) LDTP16193 5.54  LDD2012 
Mitochondrial fission process protein 1 (MTFP1) LDTP16192 5.28  LDD2012 
Phosphatidylethanolamine-binding protein 1 (PEBP1) LDTP03520 11.63  LDD2012 
Protein CutA (CUTA) LDTP01075 6.28  LDD2012 
RAD50-interacting protein 1 (RINT1) LDTP07476 5.98  LDD2012 
Reticulocalbin-2 (RCN2) LDTP06097 6.02  LDD2012 
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⏷ Show the Full List of 7 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
 LDD2012 
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