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

64 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 
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 5.43  LDD2055 
Aldehyde dehydrogenase family 3 member A2 (ALDH3A2) LDTP04437 5.54  LDD2055 
Aldehyde dehydrogenase family 3 member A2 (ALDH3A2) LDTP04437 5.54  LDD2055 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 5.17  LDD2055 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 5.17  LDD2055 
ATP-dependent translocase ABCB1 (ABCB1) LDTP02254 8.40  LDD2055 
ATP-dependent translocase ABCB1 (ABCB1) LDTP02254 8.40  LDD2055 
Bifunctional glutamate/proline--tRNA ligase (EPRS1) LDTP02222 9.32  LDD2055 
Bifunctional glutamate/proline--tRNA ligase (EPRS1) LDTP02222 9.32  LDD2055 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 9.65  LDD2055 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 9.65  LDD2055 
Choline kinase alpha (CHKA) LDTP03787 5.94  LDD2055 
Choline kinase alpha (CHKA) LDTP03787 5.94  LDD2055 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 6.19  LDD2055 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 6.19  LDD2055 
Cytochrome b5 type B (CYB5B) LDTP00697 6.11  LDD2055 
Cytochrome b5 type B (CYB5B) LDTP00697 6.11  LDD2055 
Dihydrofolate reductase (DHFR) LDTP01769 5.78  LDD2055 
Dihydrofolate reductase (DHFR) LDTP01769 5.78  LDD2055 
Epoxide hydrolase 1 (EPHX1) LDTP02175 11.39  LDD2055 
Epoxide hydrolase 1 (EPHX1) LDTP02175 11.39  LDD2055 
Ferrochelatase, mitochondrial (FECH) LDTP03198 8.17  LDD2055 
Ferrochelatase, mitochondrial (FECH) LDTP03198 8.17  LDD2055 
Heme oxygenase 2 (HMOX2) LDTP03540 7.41  LDD2055 
Heme oxygenase 2 (HMOX2) LDTP03540 7.41  LDD2055 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 5.03  LDD2055 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 5.03  LDD2055 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 5.21  LDD2055 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 5.21  LDD2055 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 15.03  LDD2055 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 15.03  LDD2055 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 14.32  LDD2055 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 14.32  LDD2055 
Mitochondrial-processing peptidase subunit alpha (PMPCA) LDTP05632 5.28  LDD2055 
Mitochondrial-processing peptidase subunit alpha (PMPCA) LDTP05632 5.28  LDD2055 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 5.50  LDD2055 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 5.50  LDD2055 
Phospholipase A2 group XV (PLA2G15) LDTP09088 11.00  LDD2055 
Phospholipase A2 group XV (PLA2G15) LDTP09088 11.00  LDD2055 
Pirin (PIR) LDTP00325 6.36  LDD2055 
Pirin (PIR) LDTP00325 6.36  LDD2055 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 8.75  LDD2055 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 8.75  LDD2055 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 5.94  LDD2055 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 5.94  LDD2055 
Prolyl endopeptidase-like (PREPL) LDTP06849 5.98  LDD2055 
Prolyl endopeptidase-like (PREPL) LDTP06849 5.98  LDD2055 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 5.28  LDD2055 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 5.28  LDD2055 
Ras-related protein Rab-11B (RAB11B) LDTP06501 5.13  LDD2055 
Ras-related protein Rab-11B (RAB11B) LDTP06501 5.13  LDD2055 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 6.54  LDD2055 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 6.54  LDD2055 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 15.67  LDD2055 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 15.67  LDD2055 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 28.64  LDD2055 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 28.64  LDD2055 
Squalene synthase (FDFT1) LDTP03842 4.92  LDD2055 
Squalene synthase (FDFT1) LDTP03842 4.92  LDD2055 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 4.96  LDD2055 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 4.96  LDD2055 
Vitamin K epoxide reductase complex subunit 1-like protein 1 (VKORC1L1) LDTP08728 7.21  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 64 Enzyme
46 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 a (MT-ATP6) LDTP01804 12.82  LDD2055 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 5.31  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 4 isoform 1, mitochondrial (COX4I1) LDTP02645 5.24  LDD2055 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 5.94  LDD2055 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 5.94  LDD2055 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 6.41  LDD2055 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 6.41  LDD2055 
Lipid scramblase CLPTM1L (CLPTM1L) LDTP10499 5.13  LDD2055 
Lipid scramblase CLPTM1L (CLPTM1L) LDTP10499 5.13  LDD2055 
Major facilitator superfamily domain-containing protein 10 (MFSD10) LDTP06198 5.21  LDD2055 
Major facilitator superfamily domain-containing protein 10 (MFSD10) LDTP06198 5.21  LDD2055 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 9.25  LDD2055 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 9.25  LDD2055 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 21.41  LDD2055 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 21.41  LDD2055 
Mpv17-like protein 2 (MPV17L2) LDTP14952 16.00  LDD2055 
Mpv17-like protein 2 (MPV17L2) LDTP14952 16.00  LDD2055 
Protein GPR107 (GPR107) LDTP07236 5.13  LDD2055 
Protein GPR107 (GPR107) LDTP07236 5.13  LDD2055 
Protein sel-1 homolog 1 (SEL1L) LDTP13164 5.74  LDD2055 
Protein sel-1 homolog 1 (SEL1L) LDTP13164 5.74  LDD2055 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 6.87  LDD2055 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 6.87  LDD2055 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 5.31  LDD2055 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 5.31  LDD2055 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 8.69  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 25 member 32 (SLC25A32) LDTP11813 5.98  LDD2055 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.50  LDD2055 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.50  LDD2055 
STARD3 N-terminal-like protein (STARD3NL) LDTP01671 5.74  LDD2055 
STARD3 N-terminal-like protein (STARD3NL) LDTP01671 5.74  LDD2055 
Tetraspanin-3 (TSPAN3) LDTP16813 4.92  LDD2055 
Tetraspanin-3 (TSPAN3) LDTP16813 4.92  LDD2055 
Translocator protein (TSPO) LDTP03546 7.73  LDD2055 
Translocator protein (TSPO) LDTP03546 7.73  LDD2055 
Transmembrane protein 126A (TMEM126A) LDTP15948 8.57  LDD2055 
Transmembrane protein 126A (TMEM126A) LDTP15948 8.57  LDD2055 
Transmembrane protein 87A (TMEM87A) LDTP15481 6.54  LDD2055 
Transmembrane protein 87A (TMEM87A) LDTP15481 6.54  LDD2055 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 8.94  LDD2055 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 8.94  LDD2055 
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⏷ Show the Full List of 46 Transporter and channel
22 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 
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 
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 26.17  LDD2055 
Keratinocyte-associated transmembrane protein 2 (KCT2) LDTP19780 8.34  LDD2055 
Keratinocyte-associated transmembrane protein 2 (KCT2) LDTP19780 8.34  LDD2055 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 6.15  LDD2055 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 6.15  LDD2055 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 6.32  LDD2055 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 6.32  LDD2055 
Neudesin (NENF) LDTP13630 7.52  LDD2055 
Neudesin (NENF) LDTP13630 7.52  LDD2055 
Nucleobindin-1 (NUCB1) LDTP05375 7.67  LDD2055 
Nucleobindin-1 (NUCB1) LDTP05375 7.67  LDD2055 
Nucleobindin-2 (NUCB2) LDTP05160 10.85  LDD2055 
Nucleobindin-2 (NUCB2) LDTP05160 10.85  LDD2055 
Protein CEBPZOS (CEBPZOS) LDTP18883 7.21  LDD2055 
Protein CEBPZOS (CEBPZOS) LDTP18883 7.21  LDD2055 
Protein unc-119 homolog B (UNC119B) LDTP00105 5.35  LDD2055 
Protein unc-119 homolog B (UNC119B) LDTP00105 5.35  LDD2055 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 31.34  LDD2055 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 31.34  LDD2055 
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⏷ Show the Full List of 22 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