Details of the Probe

General Information of Probe

Probe ID
LDPC0418
Probe Name
C179
Synonyms
Z4282860724
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 357.4
Lipid-water partition coefficient (xlogp) 0.9
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C18H23N5O3
IUPAC Name
9-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]spiro[9-azabicyclo[3.3.1]nonane-3,5'-imidazolidine]-2',4'-dione
Canonical SMILES
C#CCCC1(N=N1)CCC(=O)N2C3CCCC2CC4(C3)C(=O)NC(=O)N4
InChI
InChI=1S/C18H23N5O3/c1-2-3-8-18(21-22-18)9-7-14(24)23-12-5-4-6-13(23)11-17(10-12)15(25)19-16(26)20-17/h1,12-13H,3-11H2,(H2,19,20,25,26)
InChIKey
ZCNXARVNAPHWAS-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

11 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Delta(24)-sterol reductase (DHCR24) LDTP06375 6.77  LDD1858 
Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial (HADH) LDTP06645 9.25  LDD1858 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 5.54  LDD1858 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 14.52  LDD1858 
Peptidyl-prolyl cis-trans isomerase FKBP2 (FKBP2) LDTP03374 60.13  LDD1858 
Peptidyl-prolyl cis-trans isomerase FKBP4 (FKBP4) LDTP05372 14.42  LDD1858 
Peptidyl-prolyl cis-trans isomerase FKBP9 (FKBP9) LDTP01562 13.83  LDD1858 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 6.32  LDD1858 
Proteasome subunit beta type-4 (PSMB4) LDTP03417 7.36  LDD1858 
Thioredoxin domain-containing protein 12 (TXNDC12) LDTP01707 5.86  LDD1858 
TLC domain-containing protein 1 (TLCD1) LDTP10182 12.73  LDD1858 
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⏷ Show the Full List of 11 Enzyme
5 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 19.03  LDD1858 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 22.94  LDD1858 
Mitochondrial ornithine transporter 1 (SLC25A15) LDTP14200 7.73  LDD1858 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 11.24  LDD1858 
Monocarboxylate transporter 1 (SLC16A1) LDTP04592 7.84  LDD1858 
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5 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Clustered mitochondria protein homolog (CLUH) LDTP14486 11.96  LDD1858 
Neudesin (NENF) LDTP13630 5.43  LDD1858 
Neuferricin (CYB5D2) LDTP15623 24.25  LDD1858 
Phosducin-like protein 3 (PDCL3) LDTP11825 6.32  LDD1858 
Splicing factor 3B subunit 5 (SF3B5) LDTP11328 7.31  LDD1858 
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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
 LDD1858 
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