Details of the Probe

General Information of Probe

Probe ID
LDPC0415
Probe Name
C176
Synonyms
Z3433405212
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 286.33
Lipid-water partition coefficient (xlogp) 1
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C15H18N4O2
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-5-(methoxymethyl)pyridine-3-carboxamide
Canonical SMILES
COCC1=CC(=CN=C1)C(=O)NCCC2(N=N2)CCC#C
InChI
InChI=1S/C15H18N4O2/c1-3-4-5-15(18-19-15)6-7-17-14(20)13-8-12(11-21-2)9-16-10-13/h1,8-10H,4-7,11H2,2H3,(H,17,20)
InChIKey
MDOPUUNLIAWXLO-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

19 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 12.13  LDD1855 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 5.43  LDD1855 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 6.63  LDD1855 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 6.06  LDD1855 
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1) LDTP05724 5.10  LDD1855 
Endoplasmic reticulum metallopeptidase 1 (ERMP1) LDTP08017 5.28  LDD1855 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 5.58  LDD1855 
Exonuclease 1 (EXO1) LDTP13751 6.82  LDD1855 
Heme oxygenase 2 (HMOX2) LDTP03540 6.92  LDD1855 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 9.19  LDD1855 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 5.98  LDD1855 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 17.39  LDD1855 
Mannosyl-oligosaccharide 1,2-alpha-mannosidase IB (MAN1A2) LDTP00975 5.06  LDD1855 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 6.06  LDD1855 
Prolyl endopeptidase-like (PREPL) LDTP06849 6.87  LDD1855 
Prostaglandin reductase 3 (PTGR3) LDTP15422 5.43  LDD1855 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 6.11  LDD1855 
Ubiquitin carboxyl-terminal hydrolase 47 (USP47) LDTP10495 5.43  LDD1855 
X-ray repair cross-complementing protein 6 (XRCC6) LDTP02640 7.89  LDD1855 
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⏷ Show the Full List of 19 Enzyme
16 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Major facilitator superfamily domain-containing protein 8 (MFSD8) LDTP09261 5.13  LDD1855 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 6.23  LDD1855 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 6.68  LDD1855 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 8.63  LDD1855 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 8.40  LDD1855 
Mpv17-like protein 2 (MPV17L2) LDTP14952 10.13  LDD1855 
Occludin (OCLN) LDTP06581 4.99  LDD1855 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 4.96  LDD1855 
Protein GPR107 (GPR107) LDTP07236 7.62  LDD1855 
Reduced folate transporter (SLC19A1) LDTP03952 5.06  LDD1855 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 5.43  LDD1855 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 8.34  LDD1855 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 9.19  LDD1855 
Sugar transporter SWEET1 (SLC50A1) LDTP11136 4.99  LDD1855 
Tetraspanin-3 (TSPAN3) LDTP16813 5.21  LDD1855 
Transmembrane protein 126A (TMEM126A) LDTP15948 5.03  LDD1855 
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⏷ Show the Full List of 16 Transporter and channel
10 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Clustered mitochondria protein homolog (CLUH) LDTP14486 5.74  LDD1855 
Golgi apparatus protein 1 (GLG1) LDTP09920 5.35  LDD1855 
Large proline-rich protein BAG6 (BAG6) LDTP04094 12.47  LDD1855 
Mdm2-binding protein (MTBP) LDTP15714 5.66  LDD1855 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 5.24  LDD1855 
Neuferricin (CYB5D2) LDTP15623 47.18  LDD1855 
Oxysterol-binding protein-related protein 6 (OSBPL6) LDTP11533 26.91  LDD1855 
Protein flightless-1 homolog (FLII) LDTP05734 5.13  LDD1855 
Trophoblast glycoprotein (TPBG) LDTP05960 5.13  LDD1855 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 6.54  LDD1855 
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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
 LDD1855 
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