Details of the Probe

General Information of Probe

Probe ID
LDPC0470
Probe Name
C237
Synonyms
Z4282860624
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 290.4
Lipid-water partition coefficient (xlogp) 1.9
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C16H26N4O
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-1-[(3S,5R)-4-ethyl-3,5-dimethylpiperazin-1-yl]propan-1-one
Canonical SMILES
CCN1C(CN(CC1C)C(=O)CCC2(N=N2)CCC#C)C
InChI
InChI=1S/C16H26N4O/c1-5-7-9-16(17-18-16)10-8-15(21)19-11-13(3)20(6-2)14(4)12-19/h1,13-14H,6-12H2,2-4H3/t13-,14+
InChIKey
SWRLMSHQKWGLSO-OKILXGFUSA-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
5'-3' exonuclease PLD3 (PLD3) LDTP08476 5.82  LDD1910 
Acid ceramidase (ASAH1) LDTP05905 6.41  LDD1910 
Alpha-galactosidase A (GLA) LDTP02141 10.70  LDD1910 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 5.78  LDD1910 
Beta-1,4-glucuronyltransferase 1 (B4GAT1) LDTP00783 5.06  LDD1910 
Beta-galactosidase (GLB1) LDTP02837 4.92  LDD1910 
Beta-hexosaminidase subunit alpha (HEXA) LDTP02169 7.89  LDD1910 
Bifunctional epoxide hydrolase 2 (EPHX2) LDTP03692 11.00  LDD1910 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 8.40  LDD1910 
Carboxypeptidase D (CPD) LDTP01372 10.34  LDD1910 
Dipeptidyl peptidase 1 (CTSC) LDTP04572 6.54  LDD1910 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 10.70  LDD1910 
Ephrin type-A receptor 7 (EPHA7) LDTP06370 8.63  LDD1910 
Gamma-glutamyl hydrolase (GGH) LDTP09886 6.96  LDD1910 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 6.82  LDD1910 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 5.70  LDD1910 
Legumain (LGMN) LDTP10888 9.25  LDD1910 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 13.74  LDD1910 
Lysosomal acid phosphatase (ACP2) LDTP02539 8.34  LDD1910 
Lysosomal alpha-glucosidase (GAA) LDTP02486 10.85  LDD1910 
Lysosomal alpha-mannosidase (MAN2B1) LDTP00338 6.63  LDD1910 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 6.63  LDD1910 
Lysosomal protective protein (CTSA) LDTP02505 6.19  LDD1910 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 12.55  LDD1910 
N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 13.18  LDD1910 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 8.00  LDD1910 
Plasma alpha-L-fucosidase (FUCA2) LDTP11215 6.63  LDD1910 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 10.20  LDD1910 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 13.45  LDD1910 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 18.64  LDD1910 
Ribonuclease T2 (RNASET2) LDTP00316 12.21  LDD1910 
Sphingomyelin phosphodiesterase (SMPD1) LDTP02896 6.06  LDD1910 
Tissue alpha-L-fucosidase (FUCA1) LDTP02006 7.16  LDD1910 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 16.00  LDD1910 
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⏷ Show the Full List of 34 Enzyme
25 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Amyloid-beta precursor protein (APP) LDTP02071 12.21  LDD1910 
Cation-independent mannose-6-phosphate receptor (IGF2R) LDTP02586 12.91  LDD1910 
Desmocollin-2 (DSC2) LDTP05356 6.45  LDD1910 
H(+)/Cl(-) exchange transporter 3 (CLCN3) LDTP04459 5.90  LDD1910 
Integrin alpha-V (ITGAV) LDTP02166 5.39  LDD1910 
Low-density lipoprotein receptor (LDLR) LDTP01829 9.78  LDD1910 
Low-density lipoprotein receptor-related protein 2 (LRP2) LDTP05218 5.98  LDD1910 
Lysosome membrane protein 2 (SCARB2) LDTP06034 7.84  LDD1910 
Lysosome-associated membrane glycoprotein 1 (LAMP1) LDTP02562 6.63  LDD1910 
Lysosome-associated membrane glycoprotein 2 (LAMP2) LDTP02655 5.78  LDD1910 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 9.25  LDD1910 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 5.35  LDD1910 
NPC intracellular cholesterol transporter 2 (NPC2) LDTP04940 9.92  LDD1910 
Podocalyxin (PODXL) LDTP00321 9.85  LDD1910 
Prolow-density lipoprotein receptor-related protein 1 (LRP1) LDTP05538 10.70  LDD1910 
Prosaposin (PSAP) LDTP02215 15.45  LDD1910 
Protein tweety homolog 3 (TTYH3) LDTP11615 6.92  LDD1910 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 7.36  LDD1910 
Slit homolog 2 protein (SLIT2) LDTP01427 5.06  LDD1910 
Sodium-dependent neutral amino acid transporter B(0)AT2 (SLC6A15) LDTP11826 4.96  LDD1910 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 7.46  LDD1910 
Sortilin (SORT1) LDTP10885 9.78  LDD1910 
Transferrin receptor protein 1 (TFRC) LDTP01969 9.25  LDD1910 
Transmembrane protein 87A (TMEM87A) LDTP15481 5.13  LDD1910 
V-type proton ATPase subunit S1 (ATP6AP1) LDTP06499 5.74  LDD1910 
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⏷ Show the Full List of 25 Transporter and channel
2 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
IgG receptor FcRn large subunit p51 (FCGRT) LDTP04720 14.62  LDD1910 
Neogenin (NEO1) LDTP09907 11.88  LDD1910 
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1 Cytokine and receptor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Interferon gamma receptor 1 (IFNGR1) LDTP02775 7.62  LDD1910 
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14 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Amyloid beta precursor like protein 2 (APLP2) LDTP05491 11.71  LDD1910 
Collectin-12 (COLEC12) LDTP07031 6.87  LDD1910 
Desmocollin-3 (DSC3) LDTP06154 7.73  LDD1910 
Ganglioside GM2 activator (GM2A) LDTP02927 7.26  LDD1910 
Golgi apparatus protein 1 (GLG1) LDTP09920 5.98  LDD1910 
Golgi membrane protein 1 (GOLM1) LDTP09054 7.84  LDD1910 
Hepatoma-derived growth factor-related protein 2 (HDGFL2) LDTP08081 7.16  LDD1910 
Keratinocyte-associated transmembrane protein 2 (KCT2) LDTP19780 11.96  LDD1910 
Lethal(3)malignant brain tumor-like protein 2 (L3MBTL2) LDTP10023 12.38  LDD1910 
Neuferricin (CYB5D2) LDTP15623 7.78  LDD1910 
Seizure 6-like protein 2 (SEZ6L2) LDTP07703 16.22  LDD1910 
Synaptic vesicle glycoprotein 2A (SV2A) LDTP07934 6.87  LDD1910 
Tetraspanin-6 (TSPAN6) LDTP14458 5.54  LDD1910 
Trans-Golgi network integral membrane protein 2 (TGOLN2) LDTP00779 17.03  LDD1910 
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⏷ Show the Full List of 14 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
 LDD1910 
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