Details of the Probe

General Information of Probe

Probe ID
LDPC0615
Probe Name
C396
Synonyms
Z4225971360
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 322.4
Lipid-water partition coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C17H18N6O
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(1H-1,2,4-triazol-5-ylmethyl)benzamide
Canonical SMILES
C#CCCC1(N=N1)CCNC(=O)C2=CC=CC=C2CC3=NC=NN3
InChI
InChI=1S/C17H18N6O/c1-2-3-8-17(22-23-17)9-10-18-16(24)14-7-5-4-6-13(14)11-15-19-12-20-21-15/h1,4-7,12H,3,8-11H2,(H,18,24)(H,19,20,21)
InChIKey
IOTUOSPNYZPAJO-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

32 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 5.43  LDD2055 
Aldehyde dehydrogenase family 3 member A2 (ALDH3A2) LDTP04437 5.54  LDD2055 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 5.17  LDD2055 
ATP-dependent translocase ABCB1 (ABCB1) LDTP02254 8.40  LDD2055 
Bifunctional glutamate/proline--tRNA ligase (EPRS1) LDTP02222 9.32  LDD2055 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 9.65  LDD2055 
Choline kinase alpha (CHKA) LDTP03787 5.94  LDD2055 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 6.19  LDD2055 
Cytochrome b5 type B (CYB5B) LDTP00697 6.11  LDD2055 
Dihydrofolate reductase (DHFR) LDTP01769 5.78  LDD2055 
Epoxide hydrolase 1 (EPHX1) LDTP02175 11.39  LDD2055 
Ferrochelatase, mitochondrial (FECH) LDTP03198 8.17  LDD2055 
Heme oxygenase 2 (HMOX2) LDTP03540 7.41  LDD2055 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 5.03  LDD2055 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 5.21  LDD2055 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 15.03  LDD2055 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 14.32  LDD2055 
Mitochondrial-processing peptidase subunit alpha (PMPCA) LDTP05632 5.28  LDD2055 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 5.50  LDD2055 
Phospholipase A2 group XV (PLA2G15) LDTP09088 11.00  LDD2055 
Pirin (PIR) LDTP00325 6.36  LDD2055 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 8.75  LDD2055 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 5.94  LDD2055 
Prolyl endopeptidase-like (PREPL) LDTP06849 5.98  LDD2055 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 5.28  LDD2055 
Ras-related protein Rab-11B (RAB11B) LDTP06501 5.13  LDD2055 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 6.54  LDD2055 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 15.67  LDD2055 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 28.64  LDD2055 
Squalene synthase (FDFT1) LDTP03842 4.92  LDD2055 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 4.96  LDD2055 
Vitamin K epoxide reductase complex subunit 1-like protein 1 (VKORC1L1) LDTP08728 7.21  LDD2055 
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⏷ Show the Full List of 32 Enzyme
23 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP synthase subunit a (MT-ATP6) LDTP01804 12.82  LDD2055 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 5.31  LDD2055 
Cytochrome c oxidase subunit 4 isoform 1, mitochondrial (COX4I1) LDTP02645 5.24  LDD2055 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 5.94  LDD2055 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 6.41  LDD2055 
Lipid scramblase CLPTM1L (CLPTM1L) LDTP10499 5.13  LDD2055 
Major facilitator superfamily domain-containing protein 10 (MFSD10) LDTP06198 5.21  LDD2055 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 9.25  LDD2055 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 21.41  LDD2055 
Mpv17-like protein 2 (MPV17L2) LDTP14952 16.00  LDD2055 
Protein GPR107 (GPR107) LDTP07236 5.13  LDD2055 
Protein sel-1 homolog 1 (SEL1L) LDTP13164 5.74  LDD2055 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 6.87  LDD2055 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 5.31  LDD2055 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 8.69  LDD2055 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 5.98  LDD2055 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.50  LDD2055 
STARD3 N-terminal-like protein (STARD3NL) LDTP01671 5.74  LDD2055 
Tetraspanin-3 (TSPAN3) LDTP16813 4.92  LDD2055 
Translocator protein (TSPO) LDTP03546 7.73  LDD2055 
Transmembrane protein 126A (TMEM126A) LDTP15948 8.57  LDD2055 
Transmembrane protein 87A (TMEM87A) LDTP15481 6.54  LDD2055 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 8.94  LDD2055 
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⏷ Show the Full List of 23 Transporter and channel
11 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 5.28  LDD2055 
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 26.17  LDD2055 
Keratinocyte-associated transmembrane protein 2 (KCT2) LDTP19780 8.34  LDD2055 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 6.15  LDD2055 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 6.32  LDD2055 
Neudesin (NENF) LDTP13630 7.52  LDD2055 
Nucleobindin-1 (NUCB1) LDTP05375 7.67  LDD2055 
Nucleobindin-2 (NUCB2) LDTP05160 10.85  LDD2055 
Protein CEBPZOS (CEBPZOS) LDTP18883 7.21  LDD2055 
Protein unc-119 homolog B (UNC119B) LDTP00105 5.35  LDD2055 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 31.34  LDD2055 
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⏷ Show the Full List of 11 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
 LDD2055 
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