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

50 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 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 8.22  LDD2012 
Delta(14)-sterol reductase LBR (LBR) LDTP06200 5.94  LDD2012 
Delta(14)-sterol reductase LBR (LBR) LDTP06200 5.94  LDD2012 
Delta(24)-sterol reductase (DHCR24) LDTP06375 13.00  LDD2012 
Delta(24)-sterol reductase (DHCR24) LDTP06375 13.00  LDD2012 
Dihydrofolate reductase (DHFR) LDTP01769 25.28  LDD2012 
Dihydrofolate reductase (DHFR) LDTP01769 25.28  LDD2012 
Endoplasmic reticulum aminopeptidase 1 (ERAP1) LDTP12868 6.32  LDD2012 
Endoplasmic reticulum aminopeptidase 1 (ERAP1) LDTP12868 6.32  LDD2012 
Epoxide hydrolase 1 (EPHX1) LDTP02175 16.22  LDD2012 
Epoxide hydrolase 1 (EPHX1) LDTP02175 16.22  LDD2012 
Histone-lysine N-methyltransferase 2A (KMT2A) LDTP05396 8.63  LDD2012 
Histone-lysine N-methyltransferase 2A (KMT2A) LDTP05396 8.63  LDD2012 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 8.51  LDD2012 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 8.51  LDD2012 
Lysine-specific histone demethylase 2 (KDM1B) LDTP09043 6.77  LDD2012 
Lysine-specific histone demethylase 2 (KDM1B) LDTP09043 6.77  LDD2012 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 7.84  LDD2012 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 7.84  LDD2012 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.98  LDD2012 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.98  LDD2012 
Medium-chain specific acyl-CoA dehydrogenase, mitochondrial (ACADM) LDTP02565 9.51  LDD2012 
Medium-chain specific acyl-CoA dehydrogenase, mitochondrial (ACADM) LDTP02565 9.51  LDD2012 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 21.86  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 FKBP10 (FKBP10) LDTP10101 7.67  LDD2012 
Peptidyl-prolyl cis-trans isomerase FKBP1A (FKBP1A) LDTP05029 6.19  LDD2012 
Peptidyl-prolyl cis-trans isomerase FKBP1A (FKBP1A) LDTP05029 6.19  LDD2012 
Peroxisomal trans-2-enoyl-CoA reductase (PECR) LDTP11437 5.10  LDD2012 
Peroxisomal trans-2-enoyl-CoA reductase (PECR) LDTP11437 5.10  LDD2012 
Phosphatidylinositol 4-kinase beta (PI4KB) LDTP13112 7.94  LDD2012 
Phosphatidylinositol 4-kinase beta (PI4KB) LDTP13112 7.94  LDD2012 
Phospholipase A2 group XV (PLA2G15) LDTP09088 12.38  LDD2012 
Phospholipase A2 group XV (PLA2G15) LDTP09088 12.38  LDD2012 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 7.01  LDD2012 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 7.01  LDD2012 
Proteasome subunit alpha type-2 (PSMA2) LDTP03331 20.11  LDD2012 
Proteasome subunit alpha type-2 (PSMA2) LDTP03331 20.11  LDD2012 
Proteasome subunit beta type-4 (PSMB4) LDTP03417 5.62  LDD2012 
Proteasome subunit beta type-4 (PSMB4) LDTP03417 5.62  LDD2012 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 12.82  LDD2012 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 12.82  LDD2012 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 5.35  LDD2012 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 5.35  LDD2012 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 27.10  LDD2012 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 27.10  LDD2012 
Squalene synthase (FDFT1) LDTP03842 9.00  LDD2012 
Squalene synthase (FDFT1) LDTP03842 9.00  LDD2012 
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⏷ Show the Full List of 50 Enzyme
12 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 
ATP synthase subunit a (MT-ATP6) LDTP01804 7.73  LDD2012 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.39  LDD2012 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.39  LDD2012 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 9.99  LDD2012 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 9.99  LDD2012 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 5.62  LDD2012 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 5.62  LDD2012 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 11.88  LDD2012 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 11.88  LDD2012 
Transmembrane protein 199 (TMEM199) LDTP08881 5.86  LDD2012 
Transmembrane protein 199 (TMEM199) LDTP08881 5.86  LDD2012 
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⏷ Show the Full List of 12 Transporter and channel
14 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Centrosomal protein 43 (CEP43) LDTP01652 6.19  LDD2012 
Centrosomal protein 43 (CEP43) LDTP01652 6.19  LDD2012 
Craniofacial development protein 1 (CFDP1) LDTP16193 5.54  LDD2012 
Craniofacial development protein 1 (CFDP1) LDTP16193 5.54  LDD2012 
Mitochondrial fission process protein 1 (MTFP1) LDTP16192 5.28  LDD2012 
Mitochondrial fission process protein 1 (MTFP1) LDTP16192 5.28  LDD2012 
Phosphatidylethanolamine-binding protein 1 (PEBP1) LDTP03520 11.63  LDD2012 
Phosphatidylethanolamine-binding protein 1 (PEBP1) LDTP03520 11.63  LDD2012 
Protein CutA (CUTA) LDTP01075 6.28  LDD2012 
Protein CutA (CUTA) LDTP01075 6.28  LDD2012 
RAD50-interacting protein 1 (RINT1) LDTP07476 5.98  LDD2012 
RAD50-interacting protein 1 (RINT1) LDTP07476 5.98  LDD2012 
Reticulocalbin-2 (RCN2) LDTP06097 6.02  LDD2012 
Reticulocalbin-2 (RCN2) LDTP06097 6.02  LDD2012 
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⏷ Show the Full List of 14 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