Details of the Probe

General Information of Probe

Probe ID
LDPC0522
Probe Name
C292
Synonyms
Z3337874266
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 407.5
Lipid-water partition coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C22H25N5O3
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)phenyl]methyl]propanamide
Canonical SMILES
C#CCCC1(N=N1)CCC(=O)NCC2=CC(=CC=C2)N3C(=O)C4(CCCC4)NC3=O
InChI
InChI=1S/C22H25N5O3/c1-2-3-12-22(25-26-22)13-9-18(28)23-15-16-7-6-8-17(14-16)27-19(29)21(24-20(27)30)10-4-5-11-21/h1,6-8,14H,3-5,9-13,15H2,(H,23,28)(H,24,30)
InChIKey
XKQSDRWQQWNAOY-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
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 5.21  LDD1962 
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 6.32  LDD1962 
Adenosine kinase (ADK) LDTP04689 7.73  LDD1962 
Adenylosuccinate synthetase isozyme 2 (ADSS2) LDTP03541 5.62  LDD1962 
Adipocyte plasma membrane-associated protein (APMAP) LDTP12293 8.88  LDD1962 
Alpha-aminoadipic semialdehyde dehydrogenase (ALDH7A1) LDTP04253 7.16  LDD1962 
Asparagine synthetase [glutamine-hydrolyzing] (ASNS) LDTP02264 5.24  LDD1962 
DCN1-like protein 4 (DCUN1D4) LDTP09799 18.51  LDD1962 
Dolichyldiphosphatase 1 (DOLPP1) LDTP15328 5.78  LDD1962 
Epoxide hydrolase 1 (EPHX1) LDTP02175 4.92  LDD1962 
Geranylgeranyl transferase type-2 subunit beta (RABGGTB) LDTP04569 7.31  LDD1962 
Heme oxygenase 2 (HMOX2) LDTP03540 8.57  LDD1962 
Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial (HADH) LDTP06645 5.35  LDD1962 
Inositol polyphosphate-4-phosphatase type I A (INPP4A) LDTP10676 5.54  LDD1962 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 25.46  LDD1962 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 6.96  LDD1962 
N-alpha-acetyltransferase 25, NatB auxiliary subunit (NAA25) LDTP06262 6.59  LDD1962 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 31.56  LDD1962 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 5.17  LDD1962 
Phospholipase A2 group XV (PLA2G15) LDTP09088 7.06  LDD1962 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 5.31  LDD1962 
Prostaglandin reductase 3 (PTGR3) LDTP15422 25.63  LDD1962 
Proteasome subunit alpha type-6 (PSMA6) LDTP04884 4.92  LDD1962 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 5.66  LDD1962 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 15.67  LDD1962 
Pyruvate dehydrogenase E1 component subunit beta, mitochondrial (PDHB) LDTP02549 8.63  LDD1962 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 7.78  LDD1962 
Secernin-3 (SCRN3) LDTP17022 6.06  LDD1962 
STAM-binding protein (STAMBP) LDTP01641 6.11  LDD1962 
Ubiquitin carboxyl-terminal hydrolase 47 (USP47) LDTP10495 5.46  LDD1962 
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⏷ Show the Full List of 30 Enzyme
14 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Calcium uptake protein 1, mitochondrial (MICU1) LDTP11041 4.92  LDD1962 
Calcium uptake protein 2, mitochondrial (MICU2) LDTP08673 5.03  LDD1962 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 6.73  LDD1962 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 5.28  LDD1962 
Metaxin-1 (MTX1) LDTP05900 22.16  LDD1962 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.31  LDD1962 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 10.78  LDD1962 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 17.03  LDD1962 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 8.22  LDD1962 
Protein wntless homolog (WLS) LDTP07156 5.62  LDD1962 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 6.50  LDD1962 
Synaptojanin-2-binding protein (SYNJ2BP) LDTP04789 5.43  LDD1962 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 5.24  LDD1962 
Transmembrane protein 126A (TMEM126A) LDTP15948 5.31  LDD1962 
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⏷ Show the Full List of 14 Transporter and channel
7 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 6.19  LDD1962 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 6.32  LDD1962 
Histone H2AX (H2AX) LDTP02825 5.98  LDD1962 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 7.41  LDD1962 
Neudesin (NENF) LDTP13630 5.82  LDD1962 
Protein CutA (CUTA) LDTP01075 6.59  LDD1962 
Protein unc-119 homolog B (UNC119B) LDTP00105 5.50  LDD1962 
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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
 LDD1962 
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