Details of the Probe

General Information of Probe

Probe ID
LDPC0511
Probe Name
C281
Synonyms
Z3433405896
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 302.37
Lipid-water partition coefficient (xlogp) 0.9
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C16H22N4O2
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-oxa-6-azatricyclo[6.1.1.01,6]decane-4-carboxamide
Canonical SMILES
C#CCCC1(N=N1)CCNC(=O)C2CN3CC4CC3(C4)CO2
InChI
InChI=1S/C16H22N4O2/c1-2-3-4-16(18-19-16)5-6-17-14(21)13-10-20-9-12-7-15(20,8-12)11-22-13/h1,12-13H,3-11H2,(H,17,21)
InChIKey
CRIOXLPYBOVUMY-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

42 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5'-3' exonuclease PLD3 (PLD3) LDTP08476 6.11  LDD1951 
A disintegrin and metalloproteinase with thrombospondin motifs 1 (ADAMTS1) LDTP13287 5.03  LDD1951 
Acid ceramidase (ASAH1) LDTP05905 5.54  LDD1951 
Alpha-galactosidase A (GLA) LDTP02141 8.63  LDD1951 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 7.01  LDD1951 
Beta-1,4-glucuronyltransferase 1 (B4GAT1) LDTP00783 4.96  LDD1951 
Beta-hexosaminidase subunit alpha (HEXA) LDTP02169 8.51  LDD1951 
Beta-hexosaminidase subunit beta (HEXB) LDTP02216 5.50  LDD1951 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 11.96  LDD1951 
Carboxypeptidase D (CPD) LDTP01372 10.93  LDD1951 
Cathepsin B (CTSB) LDTP02223 14.83  LDD1951 
Delta(24)-sterol reductase (DHCR24) LDTP06375 12.04  LDD1951 
Di-N-acetylchitobiase (CTBS) LDTP14801 9.58  LDD1951 
Dipeptidyl peptidase 1 (CTSC) LDTP04572 6.77  LDD1951 
E3 ubiquitin-protein ligase RNF13 (RNF13) LDTP00804 5.24  LDD1951 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 11.47  LDD1951 
Ethanolamine kinase 1 (ETNK1) LDTP12197 8.17  LDD1951 
Gamma-glutamyl hydrolase (GGH) LDTP09886 6.11  LDD1951 
Golgi-resident adenosine 3',5'-bisphosphate 3'-phosphatase (BPNT2) LDTP12763 5.46  LDD1951 
Heparan sulfate 2-O-sulfotransferase 1 (HS2ST1) LDTP07990 6.36  LDD1951 
Histone-arginine methyltransferase CARM1 (CARM1) LDTP08352 4.99  LDD1951 
Lactadherin (MFGE8) LDTP05561 10.56  LDD1951 
Legumain (LGMN) LDTP10888 8.51  LDD1951 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 12.82  LDD1951 
Lysosomal acid phosphatase (ACP2) LDTP02539 8.40  LDD1951 
Lysosomal alpha-glucosidase (GAA) LDTP02486 6.54  LDD1951 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 4.99  LDD1951 
Lysosomal protective protein (CTSA) LDTP02505 5.98  LDD1951 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 10.63  LDD1951 
N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 6.92  LDD1951 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 6.92  LDD1951 
Peptidyl-glycine alpha-amidating monooxygenase (PAM) LDTP02976 6.92  LDD1951 
Plasma alpha-L-fucosidase (FUCA2) LDTP11215 7.89  LDD1951 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 10.70  LDD1951 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 5.70  LDD1951 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 8.82  LDD1951 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 7.94  LDD1951 
Ribonuclease T2 (RNASET2) LDTP00316 10.85  LDD1951 
Sialate O-acetylesterase (SIAE) LDTP12135 6.77  LDD1951 
Sphingomyelin phosphodiesterase (SMPD1) LDTP02896 5.13  LDD1951 
Tissue alpha-L-fucosidase (FUCA1) LDTP02006 8.82  LDD1951 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 10.93  LDD1951 
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⏷ Show the Full List of 42 Enzyme
20 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Amyloid-beta precursor protein (APP) LDTP02071 12.13  LDD1951 
Cation-independent mannose-6-phosphate receptor (IGF2R) LDTP02586 10.34  LDD1951 
Ceroid-lipofuscinosis neuronal protein 6 (CLN6) LDTP12738 5.13  LDD1951 
H(+)/Cl(-) exchange transporter 3 (CLCN3) LDTP04459 5.94  LDD1951 
Integral membrane protein 2B (ITM2B) LDTP13833 10.85  LDD1951 
Low-density lipoprotein receptor-related protein 2 (LRP2) LDTP05218 11.88  LDD1951 
Lysosome membrane protein 2 (SCARB2) LDTP06034 8.46  LDD1951 
Prosaposin (PSAP) LDTP02215 14.03  LDD1951 
Protein GPR107 (GPR107) LDTP07236 4.92  LDD1951 
Protein GPR108 (GPR108) LDTP12383 6.41  LDD1951 
Protein tweety homolog 3 (TTYH3) LDTP11615 12.82  LDD1951 
Proton-activated chloride channel (PACC1) LDTP12042 23.75  LDD1951 
Slit homolog 2 protein (SLIT2) LDTP01427 6.41  LDD1951 
Sodium-dependent neutral amino acid transporter B(0)AT2 (SLC6A15) LDTP11826 9.92  LDD1951 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.54  LDD1951 
Sortilin (SORT1) LDTP10885 14.72  LDD1951 
Tetraspanin-3 (TSPAN3) LDTP16813 12.38  LDD1951 
Transferrin receptor protein 1 (TFRC) LDTP01969 10.06  LDD1951 
Transmembrane protein 87A (TMEM87A) LDTP15481 7.36  LDD1951 
V-type proton ATPase subunit S1 (ATP6AP1) LDTP06499 6.77  LDD1951 
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⏷ Show the Full List of 20 Transporter and channel
3 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Cell adhesion molecule 1 (CADM1) LDTP11441 6.23  LDD1951 
Cell surface glycoprotein MUC18 (MCAM) LDTP04020 5.46  LDD1951 
Neogenin (NEO1) LDTP09907 10.27  LDD1951 
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16 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Amyloid beta precursor like protein 2 (APLP2) LDTP05491 11.16  LDD1951 
C-type mannose receptor 2 (MRC2) LDTP13114 7.01  LDD1951 
Caprin-1 (CAPRIN1) LDTP06121 7.67  LDD1951 
Collectin-12 (COLEC12) LDTP07031 8.82  LDD1951 
Desmocollin-3 (DSC3) LDTP06154 9.32  LDD1951 
EF-hand calcium-binding domain-containing protein 14 (EFCAB14) LDTP19021 10.56  LDD1951 
Galectin-3-binding protein (LGALS3BP) LDTP05558 6.87  LDD1951 
Ganglioside GM2 activator (GM2A) LDTP02927 12.38  LDD1951 
Golgi apparatus protein 1 (GLG1) LDTP09920 6.82  LDD1951 
Keratinocyte-associated transmembrane protein 2 (KCT2) LDTP19780 14.52  LDD1951 
Protein GOLM2 (GOLM2) LDTP15115 15.56  LDD1951 
Protein unc-119 homolog B (UNC119B) LDTP00105 5.03  LDD1951 
Seizure 6-like protein 2 (SEZ6L2) LDTP07703 16.00  LDD1951 
Synaptic vesicle glycoprotein 2A (SV2A) LDTP07934 5.58  LDD1951 
Trans-Golgi network integral membrane protein 2 (TGOLN2) LDTP00779 8.51  LDD1951 
Trophoblast glycoprotein (TPBG) LDTP05960 12.04  LDD1951 
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⏷ Show the Full List of 16 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
 LDD1951 
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