Details of the Probe

General Information of Probe

Probe ID
LDPC0455
Probe Name
C221
Synonyms
Z4225937760
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 289.38
Lipid-water partition coefficient (xlogp) 0.8
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C15H23N5O
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1,5-diazabicyclo[3.2.2]nonane-6-carboxamide
Canonical SMILES
C#CCCC1(N=N1)CCNC(=O)C2CN3CCCN2CC3
InChI
InChI=1S/C15H23N5O/c1-2-3-5-15(17-18-15)6-7-16-14(21)13-12-19-8-4-9-20(13)11-10-19/h1,13H,3-12H2,(H,16,21)
InChIKey
SQWHSWXQMJPAEW-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

33 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5'-3' exonuclease PLD3 (PLD3) LDTP08476 6.19  LDD1895 
7-dehydrocholesterol reductase (DHCR7) LDTP13131 5.43  LDD1895 
Acid ceramidase (ASAH1) LDTP05905 7.21  LDD1895 
Aldehyde dehydrogenase, mitochondrial (ALDH2) LDTP02074 13.27  LDD1895 
Alpha-galactosidase A (GLA) LDTP02141 14.32  LDD1895 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 8.34  LDD1895 
Beta-galactosidase (GLB1) LDTP02837 5.78  LDD1895 
Beta-hexosaminidase subunit alpha (HEXA) LDTP02169 12.13  LDD1895 
Beta-hexosaminidase subunit beta (HEXB) LDTP02216 5.90  LDD1895 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 15.03  LDD1895 
Carboxypeptidase D (CPD) LDTP01372 7.06  LDD1895 
Cathepsin B (CTSB) LDTP02223 26.17  LDD1895 
Dipeptidyl peptidase 1 (CTSC) LDTP04572 9.65  LDD1895 
Endoplasmic reticulum protein SC65 (P3H4) LDTP09874 9.19  LDD1895 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 10.20  LDD1895 
Legumain (LGMN) LDTP10888 14.52  LDD1895 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 10.34  LDD1895 
Lysosomal acid phosphatase (ACP2) LDTP02539 9.78  LDD1895 
Lysosomal alpha-glucosidase (GAA) LDTP02486 9.38  LDD1895 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 7.31  LDD1895 
Lysosomal protective protein (CTSA) LDTP02505 9.06  LDD1895 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 16.56  LDD1895 
N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 14.12  LDD1895 
N-alpha-acetyltransferase 40 (NAA40) LDTP08265 6.11  LDD1895 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 9.32  LDD1895 
Phospholipase A2 group XV (PLA2G15) LDTP09088 6.02  LDD1895 
Plasma alpha-L-fucosidase (FUCA2) LDTP11215 8.94  LDD1895 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 8.17  LDD1895 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 16.00  LDD1895 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 14.32  LDD1895 
Ribonuclease T2 (RNASET2) LDTP00316 16.34  LDD1895 
Tissue alpha-L-fucosidase (FUCA1) LDTP02006 10.34  LDD1895 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 12.73  LDD1895 
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⏷ Show the Full List of 33 Enzyme
20 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Amyloid-beta precursor protein (APP) LDTP02071 13.09  LDD1895 
Cation-independent mannose-6-phosphate receptor (IGF2R) LDTP02586 7.36  LDD1895 
H(+)/Cl(-) exchange transporter 3 (CLCN3) LDTP04459 5.90  LDD1895 
Integral membrane protein 2C (ITM2C) LDTP12451 6.63  LDD1895 
Lysosome membrane protein 2 (SCARB2) LDTP06034 8.82  LDD1895 
Lysosome-associated membrane glycoprotein 1 (LAMP1) LDTP02562 6.50  LDD1895 
Lysosome-associated membrane glycoprotein 2 (LAMP2) LDTP02655 8.57  LDD1895 
Mpv17-like protein 2 (MPV17L2) LDTP14952 10.85  LDD1895 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 5.21  LDD1895 
Podocalyxin (PODXL) LDTP00321 7.46  LDD1895 
Prolow-density lipoprotein receptor-related protein 1 (LRP1) LDTP05538 6.87  LDD1895 
Prosaposin (PSAP) LDTP02215 15.14  LDD1895 
Protein tweety homolog 3 (TTYH3) LDTP11615 16.00  LDD1895 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 5.43  LDD1895 
Sodium-dependent neutral amino acid transporter B(0)AT2 (SLC6A15) LDTP11826 7.16  LDD1895 
STARD3 N-terminal-like protein (STARD3NL) LDTP01671 5.50  LDD1895 
Surfeit locus protein 4 (SURF4) LDTP00592 9.78  LDD1895 
Tetraspanin-3 (TSPAN3) LDTP16813 11.39  LDD1895 
Transferrin receptor protein 1 (TFRC) LDTP01969 7.52  LDD1895 
V-type proton ATPase subunit S1 (ATP6AP1) LDTP06499 6.11  LDD1895 
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⏷ Show the Full List of 20 Transporter and channel
2 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
HLA class I histocompatibility antigen, C alpha chain (HLA-C) LDTP02491 4.99  LDD1895 
IgG receptor FcRn large subunit p51 (FCGRT) LDTP04720 10.93  LDD1895 
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18 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Amyloid beta precursor like protein 2 (APLP2) LDTP05491 12.64  LDD1895 
C-type mannose receptor 2 (MRC2) LDTP13114 6.54  LDD1895 
CD320 antigen (CD320) LDTP12352 8.69  LDD1895 
Cystatin-A (CSTA) LDTP01821 9.13  LDD1895 
Dyslexia-associated protein KIAA0319-like protein (KIAA0319L) LDTP08689 8.82  LDD1895 
EF-hand calcium-binding domain-containing protein 14 (EFCAB14) LDTP19021 9.45  LDD1895 
Extracellular glycoprotein lacritin (LACRT) LDTP11674 99.73  LDD1895 
Galectin-3-binding protein (LGALS3BP) LDTP05558 12.04  LDD1895 
Galectin-7 (LGALS7; LGALS7B) LDTP04142 5.98  LDD1895 
Ganglioside GM2 activator (GM2A) LDTP02927 7.94  LDD1895 
Golgi apparatus protein 1 (GLG1) LDTP09920 5.24  LDD1895 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 5.21  LDD1895 
Golgi membrane protein 1 (GOLM1) LDTP09054 6.19  LDD1895 
Lipocalin-1 (LCN1) LDTP03571 99.73  LDD1895 
Opiorphin prepropeptide (OPRPN) LDTP11009 15.67  LDD1895 
Seizure 6-like protein 2 (SEZ6L2) LDTP07703 14.83  LDD1895 
Tetraspanin-6 (TSPAN6) LDTP14458 8.17  LDD1895 
Trans-Golgi network integral membrane protein 2 (TGOLN2) LDTP00779 8.46  LDD1895 
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⏷ Show the Full List of 18 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
 LDD1895 
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