Details of the Probe

General Information of Probe

Probe ID
LDPC0532
Probe Name
C303
Synonyms
Z4282860317
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 369.5
Lipid-water partition coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C20H27N5O2
IUPAC Name
2-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]-1-methyl-N-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide
Canonical SMILES
CC1C2=CC=C(N2CCN1C(=O)CCC3(N=N3)CCC#C)C(=O)NC(C)C
InChI
InChI=1S/C20H27N5O2/c1-5-6-10-20(22-23-20)11-9-18(26)24-12-13-25-16(15(24)4)7-8-17(25)19(27)21-14(2)3/h1,7-8,14-15H,6,9-13H2,2-4H3,(H,21,27)
InChIKey
JZKWAWSVXKSMBW-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

41 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Adenosine kinase (ADK) LDTP04689 8.63  LDD1972 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 5.21  LDD1972 
Ceramide synthase 2 (CERS2) LDTP10329 7.41  LDD1972 
Cytochrome c oxidase subunit 2 (MT-CO2) LDTP01773 5.39  LDD1972 
DCN1-like protein 4 (DCUN1D4) LDTP09799 6.28  LDD1972 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 26.72  LDD1972 
Dehydrogenase/reductase SDR family member 1 (DHRS1) LDTP10550 5.06  LDD1972 
Di-N-acetylchitobiase (CTBS) LDTP14801 6.02  LDD1972 
Dihydrofolate reductase (DHFR) LDTP01769 6.06  LDD1972 
E3 ubiquitin-protein ligase RNF14 (RNF14) LDTP13154 5.43  LDD1972 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 5.03  LDD1972 
Epoxide hydrolase 1 (EPHX1) LDTP02175 15.78  LDD1972 
Eukaryotic translation initiation factor 3 subunit F (EIF3F) LDTP00246 7.16  LDD1972 
Exonuclease 1 (EXO1) LDTP13751 6.23  LDD1972 
Glycerol-3-phosphate acyltransferase 1, mitochondrial (GPAM) LDTP12253 6.87  LDD1972 
Heme oxygenase 1 (HMOX1) LDTP02359 5.54  LDD1972 
Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial (HADH) LDTP06645 11.55  LDD1972 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 5.94  LDD1972 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 10.48  LDD1972 
L-aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase (AASDHPPT) LDTP12524 5.13  LDD1972 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 8.46  LDD1972 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 12.04  LDD1972 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 6.45  LDD1972 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 18.00  LDD1972 
Obg-like ATPase 1 (OLA1) LDTP12610 5.21  LDD1972 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 4.99  LDD1972 
Phospholipase A2 group XV (PLA2G15) LDTP09088 9.65  LDD1972 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 7.26  LDD1972 
Prolyl 4-hydroxylase subunit alpha-1 (P4HA1) LDTP02679 5.24  LDD1972 
Prostaglandin reductase 1 (PTGR1) LDTP06227 9.92  LDD1972 
Prostaglandin reductase 3 (PTGR3) LDTP15422 5.39  LDD1972 
Proteasome subunit beta type-1 (PSMB1) LDTP03060 5.98  LDD1972 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 13.27  LDD1972 
Proteasome subunit beta type-4 (PSMB4) LDTP03417 11.71  LDD1972 
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (FNTA) LDTP04246 11.39  LDD1972 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 5.06  LDD1972 
Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial (PDPR) LDTP17785 11.00  LDD1972 
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (PDE6D) LDTP00907 7.62  LDD1972 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 11.08  LDD1972 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 7.67  LDD1972 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 5.54  LDD1972 
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⏷ Show the Full List of 41 Enzyme
20 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 5.94  LDD1972 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 8.28  LDD1972 
Lysosomal-associated transmembrane protein 4A (LAPTM4A) LDTP06275 5.62  LDD1972 
Lysosome membrane protein 2 (SCARB2) LDTP06034 9.00  LDD1972 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 13.00  LDD1972 
Major facilitator superfamily domain-containing protein 8 (MFSD8) LDTP09261 4.92  LDD1972 
Mitochondrial 2-oxoglutarate/malate carrier protein (SLC25A11) LDTP05384 7.31  LDD1972 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 14.52  LDD1972 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 9.32  LDD1972 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 16.80  LDD1972 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 5.90  LDD1972 
Monocarboxylate transporter 1 (SLC16A1) LDTP04592 7.84  LDD1972 
Mpv17-like protein 2 (MPV17L2) LDTP14952 8.11  LDD1972 
Prosaposin (PSAP) LDTP02215 5.66  LDD1972 
Protein GPR107 (GPR107) LDTP07236 6.28  LDD1972 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 7.26  LDD1972 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.82  LDD1972 
Transmembrane protein 199 (TMEM199) LDTP08881 8.63  LDD1972 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 7.36  LDD1972 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 7.46  LDD1972 
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⏷ Show the Full List of 20 Transporter and channel
18 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 6.68  LDD1972 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 6.28  LDD1972 
CCR4-NOT transcription complex subunit 3 (CNOT3) LDTP01153 6.32  LDD1972 
Clustered mitochondria protein homolog (CLUH) LDTP14486 5.35  LDD1972 
Conserved oligomeric Golgi complex subunit 3 (COG3) LDTP10452 5.21  LDD1972 
Cyclin-T1 (CCNT1) LDTP01002 5.31  LDD1972 
Glycolipid transfer protein (GLTP) LDTP12891 5.94  LDD1972 
Large proline-rich protein BAG6 (BAG6) LDTP04094 6.54  LDD1972 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 6.28  LDD1972 
Mdm2-binding protein (MTBP) LDTP15714 6.82  LDD1972 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 22.47  LDD1972 
Neuferricin (CYB5D2) LDTP15623 9.38  LDD1972 
Nucleobindin-2 (NUCB2) LDTP05160 6.23  LDD1972 
Protein unc-119 homolog B (UNC119B) LDTP00105 15.24  LDD1972 
RNA-binding protein FUS (FUS) LDTP03775 5.10  LDD1972 
Sorting nexin-9 (SNX9) LDTP14172 5.39  LDD1972 
Tetratricopeptide repeat protein 19, mitochondrial (TTC19) LDTP07368 4.99  LDD1972 
Vacuolar protein sorting-associated protein 52 homolog (VPS52) LDTP08766 7.16  LDD1972 
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⏷ Show the Full List of 18 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
 LDD1972 
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