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

34 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 12.04  LDD1896 
ATP-dependent translocase ABCB1 (ABCB1) LDTP02254 9.06  LDD1896 
Bifunctional epoxide hydrolase 2 (EPHX2) LDTP03692 12.91  LDD1896 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 8.69  LDD1896 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 23.10  LDD1896 
Ceramide synthase 2 (CERS2) LDTP10329 7.41  LDD1896 
Choline kinase alpha (CHKA) LDTP03787 12.82  LDD1896 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 8.17  LDD1896 
Dehydrogenase/reductase SDR family member 1 (DHRS1) LDTP10550 6.87  LDD1896 
Delta(14)-sterol reductase TM7SF2 (TM7SF2) LDTP01389 5.98  LDD1896 
Delta(24)-sterol reductase (DHCR24) LDTP06375 7.21  LDD1896 
Dihydrofolate reductase (DHFR) LDTP01769 18.51  LDD1896 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 6.23  LDD1896 
Epoxide hydrolase 1 (EPHX1) LDTP02175 7.73  LDD1896 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 6.59  LDD1896 
Heme oxygenase 2 (HMOX2) LDTP03540 6.96  LDD1896 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 6.41  LDD1896 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 9.32  LDD1896 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 7.62  LDD1896 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 7.78  LDD1896 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 9.13  LDD1896 
Phospholipase A2 group XV (PLA2G15) LDTP09088 13.00  LDD1896 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 8.69  LDD1896 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 7.94  LDD1896 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 9.06  LDD1896 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 5.90  LDD1896 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 5.28  LDD1896 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 11.16  LDD1896 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 9.38  LDD1896 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 10.93  LDD1896 
Signal peptidase complex catalytic subunit SEC11A (SEC11A) LDTP05066 6.68  LDD1896 
Signal peptide peptidase-like 2A (SPPL2A) LDTP09395 6.63  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 
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⏷ Show the Full List of 34 Enzyme
19 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 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 5.13  LDD1896 
Lysosome membrane protein 2 (SCARB2) LDTP06034 7.21  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 S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 10.63  LDD1896 
Mpv17-like protein 2 (MPV17L2) LDTP14952 8.22  LDD1896 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 5.06  LDD1896 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 6.15  LDD1896 
Protein FAM8A1 (FAM8A1) LDTP16190 6.32  LDD1896 
Protein GPR107 (GPR107) LDTP07236 5.78  LDD1896 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 8.63  LDD1896 
Solute carrier family 25 member 33 (SLC25A33) LDTP11162 5.43  LDD1896 
Surfeit locus protein 4 (SURF4) LDTP00592 5.35  LDD1896 
Tetraspanin-3 (TSPAN3) LDTP16813 5.28  LDD1896 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 6.06  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 2 (VDAC2) LDTP04071 5.54  LDD1896 
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⏷ Show the Full List of 19 Transporter and channel
1 GPCR Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Membrane progestin receptor alpha (PAQR7) LDTP15303 4.92  LDD1896 
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1 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 
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12 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 
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 3 (KDELR3) LDTP00850 8.94  LDD1896 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 8.82  LDD1896 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 6.50  LDD1896 
Neuferricin (CYB5D2) LDTP15623 6.68  LDD1896 
Nucleobindin-1 (NUCB1) LDTP05375 5.78  LDD1896 
Nucleobindin-2 (NUCB2) LDTP05160 6.77  LDD1896 
Protein unc-119 homolog A (UNC119) LDTP05868 5.17  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 
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⏷ Show the Full List of 12 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