Details of the Probe

General Information of Probe

Probe ID
LDPC0612
Probe Name
C393
Synonyms
Z4225958861
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 338.4
Lipid-water partition coefficient (xlogp) 0.9
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C15H22N4O3S
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(4,4-dioxo-4lambda6-thia-5-azaspiro[2.5]octan-5-yl)acetamide
Canonical SMILES
C#CCCC1(N=N1)CCNC(=O)CN2CCCC3(S2(=O)=O)CC3
InChI
InChI=1S/C15H22N4O3S/c1-2-3-6-15(17-18-15)9-10-16-13(20)12-19-11-4-5-14(7-8-14)23(19,21)22/h1H,3-12H2,(H,16,20)
InChIKey
GEZZDDNCIAJOAS-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

28 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5'-3' exonuclease PLD3 (PLD3) LDTP08476 5.94  LDD2052 
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 10.20  LDD2052 
Acid ceramidase (ASAH1) LDTP05905 5.31  LDD2052 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 6.06  LDD2052 
Beta-1,4-glucuronyltransferase 1 (B4GAT1) LDTP00783 6.19  LDD2052 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 7.16  LDD2052 
Choline kinase alpha (CHKA) LDTP03787 42.52  LDD2052 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 5.35  LDD2052 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 7.26  LDD2052 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 6.73  LDD2052 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 10.63  LDD2052 
Lysine-specific histone demethylase 2 (KDM1B) LDTP09043 5.31  LDD2052 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 15.24  LDD2052 
Lysosomal acid phosphatase (ACP2) LDTP02539 5.43  LDD2052 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 11.31  LDD2052 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 5.06  LDD2052 
Phospholipase A2 group XV (PLA2G15) LDTP09088 8.63  LDD2052 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 13.64  LDD2052 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 12.38  LDD2052 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 8.28  LDD2052 
Proteasome subunit beta type-4 (PSMB4) LDTP03417 4.96  LDD2052 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 6.77  LDD2052 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 6.06  LDD2052 
Ras-related protein Rab-11B (RAB11B) LDTP06501 5.17  LDD2052 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 8.28  LDD2052 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 8.63  LDD2052 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 16.68  LDD2052 
TLC domain-containing protein 1 (TLCD1) LDTP10182 12.73  LDD2052 
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⏷ Show the Full List of 28 Enzyme
14 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP synthase subunit a (MT-ATP6) LDTP01804 4.99  LDD2052 
Cation-dependent mannose-6-phosphate receptor (M6PR) LDTP03061 5.24  LDD2052 
Cytochrome c oxidase subunit 4 isoform 1, mitochondrial (COX4I1) LDTP02645 5.35  LDD2052 
Cytoskeleton-associated protein 4 (CKAP4) LDTP05511 5.78  LDD2052 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 22.01  LDD2052 
Molybdate-anion transporter (MFSD5) LDTP07456 4.92  LDD2052 
Mpv17-like protein 2 (MPV17L2) LDTP14952 5.98  LDD2052 
Protein GPR107 (GPR107) LDTP07236 5.21  LDD2052 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 6.87  LDD2052 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 14.83  LDD2052 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 15.14  LDD2052 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 8.46  LDD2052 
STARD3 N-terminal-like protein (STARD3NL) LDTP01671 5.10  LDD2052 
Transmembrane protein 87A (TMEM87A) LDTP15481 6.15  LDD2052 
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⏷ Show the Full List of 14 Transporter and channel
10 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 10.93  LDD2052 
Clustered mitochondria protein homolog (CLUH) LDTP14486 11.55  LDD2052 
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 17.88  LDD2052 
Dymeclin (DYM) LDTP08000 6.32  LDD2052 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 6.23  LDD2052 
Neudesin (NENF) LDTP13630 16.34  LDD2052 
Nucleobindin-1 (NUCB1) LDTP05375 6.73  LDD2052 
Nucleobindin-2 (NUCB2) LDTP05160 10.20  LDD2052 
RNA-binding protein 3 (RBM3) LDTP05226 5.17  LDD2052 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 9.58  LDD2052 
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⏷ Show the Full List of 10 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
 LDD2052 
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