Details of the Probe

General Information of Probe

Probe ID
LDPC0475
Probe Name
C242
Synonyms
Z4282860578
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 353.34
Lipid-water partition coefficient (xlogp) 1.5
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C16H18F3N5O
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-1-[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
Canonical SMILES
CC1C2=NC(=CN2CCN1C(=O)CCC3(N=N3)CCC#C)C(F)(F)F
InChI
InChI=1S/C16H18F3N5O/c1-3-4-6-15(21-22-15)7-5-13(25)24-9-8-23-10-12(16(17,18)19)20-14(23)11(24)2/h1,10-11H,4-9H2,2H3
InChIKey
PLURKHOKOLMPHK-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

15 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
2-hydroxyacyl-CoA lyase 2 (ILVBL) LDTP00032 6.11  LDD1915 
Antigen peptide transporter 1 (TAP1) LDTP05408 5.13  LDD1915 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 20.68  LDD1915 
Delta(24)-sterol reductase (DHCR24) LDTP06375 9.65  LDD1915 
Exonuclease 1 (EXO1) LDTP13751 10.63  LDD1915 
Heme oxygenase 2 (HMOX2) LDTP03540 6.32  LDD1915 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 14.62  LDD1915 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 13.74  LDD1915 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 5.10  LDD1915 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 7.73  LDD1915 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 5.86  LDD1915 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 11.47  LDD1915 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 21.86  LDD1915 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 6.11  LDD1915 
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (FNTA) LDTP04246 6.36  LDD1915 
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⏷ Show the Full List of 15 Enzyme
13 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 6.41  LDD1915 
Lysosome membrane protein 2 (SCARB2) LDTP06034 5.62  LDD1915 
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 5.43  LDD1915 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 7.01  LDD1915 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 6.92  LDD1915 
Metaxin-1 (MTX1) LDTP05900 7.11  LDD1915 
Mitochondrial 2-oxodicarboxylate carrier (SLC25A21) LDTP11095 6.11  LDD1915 
Mitochondrial 2-oxoglutarate/malate carrier protein (SLC25A11) LDTP05384 6.87  LDD1915 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 7.78  LDD1915 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 5.28  LDD1915 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 12.64  LDD1915 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 7.01  LDD1915 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 6.63  LDD1915 
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⏷ Show the Full List of 13 Transporter and channel
9 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 11.39  LDD1915 
Clustered mitochondria protein homolog (CLUH) LDTP14486 4.99  LDD1915 
Hepatoma-derived growth factor-related protein 2 (HDGFL2) LDTP08081 5.78  LDD1915 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 5.98  LDD1915 
Neuferricin (CYB5D2) LDTP15623 7.06  LDD1915 
Nuclear autoantigenic sperm protein (NASP) LDTP04241 5.50  LDD1915 
Protein transport protein Sec23B (SEC23B) LDTP06391 4.99  LDD1915 
Protein unc-119 homolog B (UNC119B) LDTP00105 7.78  LDD1915 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 6.50  LDD1915 
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⏷ Show the Full List of 9 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
 LDD1915 
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