Details of the Probe

General Information of Probe

Probe ID
LDPC0456
Probe Name
C222
Synonyms
Z4225960688
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 328.4
Lipid-water partition coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C17H20N4OS
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(1,3-thiazol-5-yl)bicyclo[2.1.1]hexane-5-carboxamide
Canonical SMILES
C#CCCC1(N=N1)CCNC(=O)C2C3CCC2(C3)C4=CN=CS4
InChI
InChI=1S/C17H20N4OS/c1-2-3-5-17(20-21-17)7-8-19-15(22)14-12-4-6-16(14,9-12)13-10-18-11-23-13/h1,10-12,14H,3-9H2,(H,19,22)
InChIKey
LFFDYOGFEFQFDY-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

68 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 12.04  LDD1896 
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 12.04  LDD1896 
ATP-dependent translocase ABCB1 (ABCB1) LDTP02254 9.06  LDD1896 
ATP-dependent translocase ABCB1 (ABCB1) LDTP02254 9.06  LDD1896 
Bifunctional epoxide hydrolase 2 (EPHX2) LDTP03692 12.91  LDD1896 
Bifunctional epoxide hydrolase 2 (EPHX2) LDTP03692 12.91  LDD1896 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 8.69  LDD1896 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 8.69  LDD1896 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 23.10  LDD1896 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 23.10  LDD1896 
Ceramide synthase 2 (CERS2) LDTP10329 7.41  LDD1896 
Ceramide synthase 2 (CERS2) LDTP10329 7.41  LDD1896 
Choline kinase alpha (CHKA) LDTP03787 12.82  LDD1896 
Choline kinase alpha (CHKA) LDTP03787 12.82  LDD1896 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 8.17  LDD1896 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 8.17  LDD1896 
Dehydrogenase/reductase SDR family member 1 (DHRS1) LDTP10550 6.87  LDD1896 
Dehydrogenase/reductase SDR family member 1 (DHRS1) LDTP10550 6.87  LDD1896 
Delta(14)-sterol reductase TM7SF2 (TM7SF2) LDTP01389 5.98  LDD1896 
Delta(14)-sterol reductase TM7SF2 (TM7SF2) LDTP01389 5.98  LDD1896 
Delta(24)-sterol reductase (DHCR24) LDTP06375 7.21  LDD1896 
Delta(24)-sterol reductase (DHCR24) LDTP06375 7.21  LDD1896 
Dihydrofolate reductase (DHFR) LDTP01769 18.51  LDD1896 
Dihydrofolate reductase (DHFR) LDTP01769 18.51  LDD1896 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 6.23  LDD1896 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 6.23  LDD1896 
Epoxide hydrolase 1 (EPHX1) LDTP02175 7.73  LDD1896 
Epoxide hydrolase 1 (EPHX1) LDTP02175 7.73  LDD1896 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 6.59  LDD1896 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 6.59  LDD1896 
Heme oxygenase 2 (HMOX2) LDTP03540 6.96  LDD1896 
Heme oxygenase 2 (HMOX2) LDTP03540 6.96  LDD1896 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 6.41  LDD1896 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 6.41  LDD1896 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 9.32  LDD1896 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 9.32  LDD1896 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 7.62  LDD1896 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 7.62  LDD1896 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 7.78  LDD1896 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 7.78  LDD1896 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 9.13  LDD1896 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 9.13  LDD1896 
Phospholipase A2 group XV (PLA2G15) LDTP09088 13.00  LDD1896 
Phospholipase A2 group XV (PLA2G15) LDTP09088 13.00  LDD1896 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 8.69  LDD1896 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 8.69  LDD1896 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 7.94  LDD1896 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 7.94  LDD1896 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 9.06  LDD1896 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 9.06  LDD1896 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 5.90  LDD1896 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 5.90  LDD1896 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 5.28  LDD1896 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 5.28  LDD1896 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 11.16  LDD1896 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 11.16  LDD1896 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 9.38  LDD1896 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 9.38  LDD1896 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 10.93  LDD1896 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 10.93  LDD1896 
Signal peptidase complex catalytic subunit SEC11A (SEC11A) LDTP05066 6.68  LDD1896 
Signal peptidase complex catalytic subunit SEC11A (SEC11A) LDTP05066 6.68  LDD1896 
Signal peptide peptidase-like 2A (SPPL2A) LDTP09395 6.63  LDD1896 
Signal peptide peptidase-like 2A (SPPL2A) LDTP09395 6.63  LDD1896 
TLC domain-containing protein 1 (TLCD1) LDTP10182 5.31  LDD1896 
TLC domain-containing protein 1 (TLCD1) LDTP10182 5.31  LDD1896 
Vitamin K epoxide reductase complex subunit 1-like protein 1 (VKORC1L1) LDTP08728 5.54  LDD1896 
Vitamin K epoxide reductase complex subunit 1-like protein 1 (VKORC1L1) LDTP08728 5.54  LDD1896 
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⏷ Show the Full List of 68 Enzyme
38 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP synthase subunit a (MT-ATP6) LDTP01804 6.68  LDD1896 
ATP synthase subunit a (MT-ATP6) LDTP01804 6.68  LDD1896 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 5.13  LDD1896 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 5.13  LDD1896 
Lysosome membrane protein 2 (SCARB2) LDTP06034 7.21  LDD1896 
Lysosome membrane protein 2 (SCARB2) LDTP06034 7.21  LDD1896 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.90  LDD1896 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.90  LDD1896 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 32.67  LDD1896 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 32.67  LDD1896 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 10.63  LDD1896 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 10.63  LDD1896 
Mpv17-like protein 2 (MPV17L2) LDTP14952 8.22  LDD1896 
Mpv17-like protein 2 (MPV17L2) LDTP14952 8.22  LDD1896 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 5.06  LDD1896 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 5.06  LDD1896 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 6.15  LDD1896 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 6.15  LDD1896 
Protein FAM8A1 (FAM8A1) LDTP16190 6.32  LDD1896 
Protein FAM8A1 (FAM8A1) LDTP16190 6.32  LDD1896 
Protein GPR107 (GPR107) LDTP07236 5.78  LDD1896 
Protein GPR107 (GPR107) LDTP07236 5.78  LDD1896 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 8.63  LDD1896 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 8.63  LDD1896 
Solute carrier family 25 member 33 (SLC25A33) LDTP11162 5.43  LDD1896 
Solute carrier family 25 member 33 (SLC25A33) LDTP11162 5.43  LDD1896 
Surfeit locus protein 4 (SURF4) LDTP00592 5.35  LDD1896 
Surfeit locus protein 4 (SURF4) LDTP00592 5.35  LDD1896 
Tetraspanin-3 (TSPAN3) LDTP16813 5.28  LDD1896 
Tetraspanin-3 (TSPAN3) LDTP16813 5.28  LDD1896 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 6.06  LDD1896 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 6.06  LDD1896 
Transmembrane protein 126A (TMEM126A) LDTP15948 6.96  LDD1896 
Transmembrane protein 126A (TMEM126A) LDTP15948 6.96  LDD1896 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 5.46  LDD1896 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 5.46  LDD1896 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 5.54  LDD1896 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 5.54  LDD1896 
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⏷ Show the Full List of 38 Transporter and channel
2 GPCR Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Membrane progestin receptor alpha (PAQR7) LDTP15303 4.92  LDD1896 
Membrane progestin receptor alpha (PAQR7) LDTP15303 4.92  LDD1896 
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2 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
IgG receptor FcRn large subunit p51 (FCGRT) LDTP04720 7.78  LDD1896 
IgG receptor FcRn large subunit p51 (FCGRT) LDTP04720 7.78  LDD1896 
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24 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 4.99  LDD1896 
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 4.99  LDD1896 
Clustered mitochondria protein homolog (CLUH) LDTP14486 8.40  LDD1896 
Clustered mitochondria protein homolog (CLUH) LDTP14486 8.40  LDD1896 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 12.82  LDD1896 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 12.82  LDD1896 
ER lumen protein-retaining receptor 3 (KDELR3) LDTP00850 8.94  LDD1896 
ER lumen protein-retaining receptor 3 (KDELR3) LDTP00850 8.94  LDD1896 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 8.82  LDD1896 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 8.82  LDD1896 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 6.50  LDD1896 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 6.50  LDD1896 
Neuferricin (CYB5D2) LDTP15623 6.68  LDD1896 
Neuferricin (CYB5D2) LDTP15623 6.68  LDD1896 
Nucleobindin-1 (NUCB1) LDTP05375 5.78  LDD1896 
Nucleobindin-1 (NUCB1) LDTP05375 5.78  LDD1896 
Nucleobindin-2 (NUCB2) LDTP05160 6.77  LDD1896 
Nucleobindin-2 (NUCB2) LDTP05160 6.77  LDD1896 
Protein unc-119 homolog A (UNC119) LDTP05868 5.17  LDD1896 
Protein unc-119 homolog A (UNC119) LDTP05868 5.17  LDD1896 
Rab9 effector protein with kelch motifs (RABEPK) LDTP08130 7.94  LDD1896 
Rab9 effector protein with kelch motifs (RABEPK) LDTP08130 7.94  LDD1896 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 5.70  LDD1896 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 5.70  LDD1896 
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⏷ Show the Full List of 24 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
 LDD1896 
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