Details of the Probe

General Information of Probe

Probe ID
LDPC0623
Probe Name
C405
Synonyms
Z4286591410
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 327.4
Lipid-water partition coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C18H21N3O3
IUPAC Name
3-(1,3-benzodioxol-5-yl)-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-methylpropanamide
Canonical SMILES
CC(CC1=CC2=C(C=C1)OCO2)C(=O)NCCC3(N=N3)CCC#C
InChI
InChI=1S/C18H21N3O3/c1-3-4-7-18(20-21-18)8-9-19-17(22)13(2)10-14-5-6-15-16(11-14)24-12-23-15/h1,5-6,11,13H,4,7-10,12H2,2H3,(H,19,22)
InChIKey
YGAYARRYLWKOPL-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

30 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 7.46  LDD2063 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 5.43  LDD2063 
Ceramide glucosyltransferase (UGCG) LDTP06617 7.57  LDD2063 
Cytochrome b-c1 complex subunit 8 (UQCRQ) LDTP00486 5.28  LDD2063 
Delta(24)-sterol reductase (DHCR24) LDTP06375 5.82  LDD2063 
Dihydrofolate reductase (DHFR) LDTP01769 8.28  LDD2063 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 6.82  LDD2063 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 5.58  LDD2063 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 6.77  LDD2063 
Heme oxygenase 2 (HMOX2) LDTP03540 16.11  LDD2063 
Lathosterol oxidase (SC5D) LDTP01329 18.13  LDD2063 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 20.68  LDD2063 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 5.90  LDD2063 
Lysosomal acid glucosylceramidase (GBA1) LDTP02005 6.41  LDD2063 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 9.92  LDD2063 
Lysosomal protective protein (CTSA) LDTP02505 7.16  LDD2063 
NAD-capped RNA hydrolase NUDT12 (NUDT12) LDTP11081 6.92  LDD2063 
NADH dehydrogenase 1 alpha subcomplex subunit 13 (NDUFA13) LDTP12959 5.39  LDD2063 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 11.31  LDD2063 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 6.92  LDD2063 
Phospholipase A2 group XV (PLA2G15) LDTP09088 7.06  LDD2063 
Plasmanylethanolamine desaturase 1 (PEDS1) LDTP00076 16.68  LDD2063 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 5.31  LDD2063 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 9.38  LDD2063 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 5.46  LDD2063 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 5.10  LDD2063 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 8.88  LDD2063 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 5.17  LDD2063 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 6.23  LDD2063 
Squalene synthase (FDFT1) LDTP03842 6.59  LDD2063 
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⏷ Show the Full List of 30 Enzyme
24 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 5.62  LDD2063 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 31.56  LDD2063 
ER membrane protein complex subunit 5 (MMGT1) LDTP08878 8.57  LDD2063 
Lysosome membrane protein 2 (SCARB2) LDTP06034 7.31  LDD2063 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.46  LDD2063 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 21.71  LDD2063 
Mitochondrial import inner membrane translocase subunit Tim22 (TIMM22) LDTP14099 9.65  LDD2063 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 7.57  LDD2063 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 5.50  LDD2063 
Prosaposin (PSAP) LDTP02215 6.28  LDD2063 
Protein GPR107 (GPR107) LDTP07236 6.23  LDD2063 
Protein GPR108 (GPR108) LDTP12383 10.13  LDD2063 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 7.78  LDD2063 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 9.51  LDD2063 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 12.91  LDD2063 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 15.45  LDD2063 
StAR-related lipid transfer protein 7, mitochondrial (STARD7) LDTP18459 6.73  LDD2063 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 8.22  LDD2063 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 5.35  LDD2063 
Transmembrane protein 160 (TMEM160) LDTP20002 5.98  LDD2063 
Transmembrane protein 199 (TMEM199) LDTP08881 10.85  LDD2063 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 5.35  LDD2063 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 10.06  LDD2063 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 9.25  LDD2063 
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⏷ Show the Full List of 24 Transporter and channel
1 Cytokine and receptor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Interferon gamma receptor 1 (IFNGR1) LDTP02775 11.31  LDD2063 
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18 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 12.13  LDD2063 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 9.06  LDD2063 
Clustered mitochondria protein homolog (CLUH) LDTP14486 9.45  LDD2063 
Desmocollin-3 (DSC3) LDTP06154 5.13  LDD2063 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 38.05  LDD2063 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 19.16  LDD2063 
Large proline-rich protein BAG6 (BAG6) LDTP04094 5.62  LDD2063 
Large ribosomal subunit protein uL24 (RPL26) LDTP04914 5.70  LDD2063 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 13.83  LDD2063 
Nucleobindin-1 (NUCB1) LDTP05375 11.96  LDD2063 
Nucleobindin-2 (NUCB2) LDTP05160 18.64  LDD2063 
Poly(U)-binding-splicing factor PUF60 (PUF60) LDTP13311 5.13  LDD2063 
Protein CEBPZOS (CEBPZOS) LDTP18883 8.82  LDD2063 
Protein FAM162A (FAM162A) LDTP10056 7.41  LDD2063 
Protein FAM3C (FAM3C) LDTP09773 4.96  LDD2063 
Synaptic vesicle glycoprotein 2A (SV2A) LDTP07934 7.36  LDD2063 
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 7.01  LDD2063 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 12.82  LDD2063 
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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
 LDD2063 
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