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

66 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5'-3' exonuclease PLD3 (PLD3) LDTP08476 6.19  LDD1895 
5'-3' exonuclease PLD3 (PLD3) LDTP08476 6.19  LDD1895 
7-dehydrocholesterol reductase (DHCR7) LDTP13131 5.43  LDD1895 
7-dehydrocholesterol reductase (DHCR7) LDTP13131 5.43  LDD1895 
Acid ceramidase (ASAH1) LDTP05905 7.21  LDD1895 
Acid ceramidase (ASAH1) LDTP05905 7.21  LDD1895 
Aldehyde dehydrogenase, mitochondrial (ALDH2) LDTP02074 13.27  LDD1895 
Aldehyde dehydrogenase, mitochondrial (ALDH2) LDTP02074 13.27  LDD1895 
Alpha-galactosidase A (GLA) LDTP02141 14.32  LDD1895 
Alpha-galactosidase A (GLA) LDTP02141 14.32  LDD1895 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 8.34  LDD1895 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 8.34  LDD1895 
Beta-galactosidase (GLB1) LDTP02837 5.78  LDD1895 
Beta-galactosidase (GLB1) LDTP02837 5.78  LDD1895 
Beta-hexosaminidase subunit alpha (HEXA) LDTP02169 12.13  LDD1895 
Beta-hexosaminidase subunit alpha (HEXA) LDTP02169 12.13  LDD1895 
Beta-hexosaminidase subunit beta (HEXB) LDTP02216 5.90  LDD1895 
Beta-hexosaminidase subunit beta (HEXB) LDTP02216 5.90  LDD1895 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 15.03  LDD1895 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 15.03  LDD1895 
Carboxypeptidase D (CPD) LDTP01372 7.06  LDD1895 
Carboxypeptidase D (CPD) LDTP01372 7.06  LDD1895 
Cathepsin B (CTSB) LDTP02223 26.17  LDD1895 
Cathepsin B (CTSB) LDTP02223 26.17  LDD1895 
Dipeptidyl peptidase 1 (CTSC) LDTP04572 9.65  LDD1895 
Dipeptidyl peptidase 1 (CTSC) LDTP04572 9.65  LDD1895 
Endoplasmic reticulum protein SC65 (P3H4) LDTP09874 9.19  LDD1895 
Endoplasmic reticulum protein SC65 (P3H4) LDTP09874 9.19  LDD1895 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 10.20  LDD1895 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 10.20  LDD1895 
Legumain (LGMN) LDTP10888 14.52  LDD1895 
Legumain (LGMN) LDTP10888 14.52  LDD1895 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 10.34  LDD1895 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 10.34  LDD1895 
Lysosomal acid phosphatase (ACP2) LDTP02539 9.78  LDD1895 
Lysosomal acid phosphatase (ACP2) LDTP02539 9.78  LDD1895 
Lysosomal alpha-glucosidase (GAA) LDTP02486 9.38  LDD1895 
Lysosomal alpha-glucosidase (GAA) LDTP02486 9.38  LDD1895 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 7.31  LDD1895 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 7.31  LDD1895 
Lysosomal protective protein (CTSA) LDTP02505 9.06  LDD1895 
Lysosomal protective protein (CTSA) LDTP02505 9.06  LDD1895 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 16.56  LDD1895 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 16.56  LDD1895 
N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 14.12  LDD1895 
N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 14.12  LDD1895 
N-alpha-acetyltransferase 40 (NAA40) LDTP08265 6.11  LDD1895 
N-alpha-acetyltransferase 40 (NAA40) LDTP08265 6.11  LDD1895 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 9.32  LDD1895 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 9.32  LDD1895 
Phospholipase A2 group XV (PLA2G15) LDTP09088 6.02  LDD1895 
Phospholipase A2 group XV (PLA2G15) LDTP09088 6.02  LDD1895 
Plasma alpha-L-fucosidase (FUCA2) LDTP11215 8.94  LDD1895 
Plasma alpha-L-fucosidase (FUCA2) LDTP11215 8.94  LDD1895 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 8.17  LDD1895 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 8.17  LDD1895 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 16.00  LDD1895 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 16.00  LDD1895 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 14.32  LDD1895 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 14.32  LDD1895 
Ribonuclease T2 (RNASET2) LDTP00316 16.34  LDD1895 
Ribonuclease T2 (RNASET2) LDTP00316 16.34  LDD1895 
Tissue alpha-L-fucosidase (FUCA1) LDTP02006 10.34  LDD1895 
Tissue alpha-L-fucosidase (FUCA1) LDTP02006 10.34  LDD1895 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 12.73  LDD1895 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 12.73  LDD1895 
------------------------------------------------------------------------------------
⏷ Show the Full List of 66 Enzyme
40 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 
Amyloid-beta precursor protein (APP) LDTP02071 13.09  LDD1895 
Cation-independent mannose-6-phosphate receptor (IGF2R) LDTP02586 7.36  LDD1895 
Cation-independent mannose-6-phosphate receptor (IGF2R) LDTP02586 7.36  LDD1895 
H(+)/Cl(-) exchange transporter 3 (CLCN3) LDTP04459 5.90  LDD1895 
H(+)/Cl(-) exchange transporter 3 (CLCN3) LDTP04459 5.90  LDD1895 
Integral membrane protein 2C (ITM2C) LDTP12451 6.63  LDD1895 
Integral membrane protein 2C (ITM2C) LDTP12451 6.63  LDD1895 
Lysosome membrane protein 2 (SCARB2) LDTP06034 8.82  LDD1895 
Lysosome membrane protein 2 (SCARB2) LDTP06034 8.82  LDD1895 
Lysosome-associated membrane glycoprotein 1 (LAMP1) LDTP02562 6.50  LDD1895 
Lysosome-associated membrane glycoprotein 1 (LAMP1) LDTP02562 6.50  LDD1895 
Lysosome-associated membrane glycoprotein 2 (LAMP2) LDTP02655 8.57  LDD1895 
Lysosome-associated membrane glycoprotein 2 (LAMP2) LDTP02655 8.57  LDD1895 
Mpv17-like protein 2 (MPV17L2) LDTP14952 10.85  LDD1895 
Mpv17-like protein 2 (MPV17L2) LDTP14952 10.85  LDD1895 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 5.21  LDD1895 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 5.21  LDD1895 
Podocalyxin (PODXL) LDTP00321 7.46  LDD1895 
Podocalyxin (PODXL) LDTP00321 7.46  LDD1895 
Prolow-density lipoprotein receptor-related protein 1 (LRP1) LDTP05538 6.87  LDD1895 
Prolow-density lipoprotein receptor-related protein 1 (LRP1) LDTP05538 6.87  LDD1895 
Prosaposin (PSAP) LDTP02215 15.14  LDD1895 
Prosaposin (PSAP) LDTP02215 15.14  LDD1895 
Protein tweety homolog 3 (TTYH3) LDTP11615 16.00  LDD1895 
Protein tweety homolog 3 (TTYH3) LDTP11615 16.00  LDD1895 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 5.43  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 
Sodium-dependent neutral amino acid transporter B(0)AT2 (SLC6A15) LDTP11826 7.16  LDD1895 
STARD3 N-terminal-like protein (STARD3NL) LDTP01671 5.50  LDD1895 
STARD3 N-terminal-like protein (STARD3NL) LDTP01671 5.50  LDD1895 
Surfeit locus protein 4 (SURF4) LDTP00592 9.78  LDD1895 
Surfeit locus protein 4 (SURF4) LDTP00592 9.78  LDD1895 
Tetraspanin-3 (TSPAN3) LDTP16813 11.39  LDD1895 
Tetraspanin-3 (TSPAN3) LDTP16813 11.39  LDD1895 
Transferrin receptor protein 1 (TFRC) LDTP01969 7.52  LDD1895 
Transferrin receptor protein 1 (TFRC) LDTP01969 7.52  LDD1895 
V-type proton ATPase subunit S1 (ATP6AP1) LDTP06499 6.11  LDD1895 
V-type proton ATPase subunit S1 (ATP6AP1) LDTP06499 6.11  LDD1895 
------------------------------------------------------------------------------------
⏷ Show the Full List of 40 Transporter and channel
4 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 
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 
IgG receptor FcRn large subunit p51 (FCGRT) LDTP04720 10.93  LDD1895 
------------------------------------------------------------------------------------
36 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 
Amyloid beta precursor like protein 2 (APLP2) LDTP05491 12.64  LDD1895 
C-type mannose receptor 2 (MRC2) LDTP13114 6.54  LDD1895 
C-type mannose receptor 2 (MRC2) LDTP13114 6.54  LDD1895 
CD320 antigen (CD320) LDTP12352 8.69  LDD1895 
CD320 antigen (CD320) LDTP12352 8.69  LDD1895 
Cystatin-A (CSTA) LDTP01821 9.13  LDD1895 
Cystatin-A (CSTA) LDTP01821 9.13  LDD1895 
Dyslexia-associated protein KIAA0319-like protein (KIAA0319L) LDTP08689 8.82  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 
EF-hand calcium-binding domain-containing protein 14 (EFCAB14) LDTP19021 9.45  LDD1895 
Extracellular glycoprotein lacritin (LACRT) LDTP11674 99.73  LDD1895 
Extracellular glycoprotein lacritin (LACRT) LDTP11674 99.73  LDD1895 
Galectin-3-binding protein (LGALS3BP) LDTP05558 12.04  LDD1895 
Galectin-3-binding protein (LGALS3BP) LDTP05558 12.04  LDD1895 
Galectin-7 (LGALS7; LGALS7B) LDTP04142 5.98  LDD1895 
Galectin-7 (LGALS7; LGALS7B) LDTP04142 5.98  LDD1895 
Ganglioside GM2 activator (GM2A) LDTP02927 7.94  LDD1895 
Ganglioside GM2 activator (GM2A) LDTP02927 7.94  LDD1895 
Golgi apparatus protein 1 (GLG1) LDTP09920 5.24  LDD1895 
Golgi apparatus protein 1 (GLG1) LDTP09920 5.24  LDD1895 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 5.21  LDD1895 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 5.21  LDD1895 
Golgi membrane protein 1 (GOLM1) LDTP09054 6.19  LDD1895 
Golgi membrane protein 1 (GOLM1) LDTP09054 6.19  LDD1895 
Lipocalin-1 (LCN1) LDTP03571 99.73  LDD1895 
Lipocalin-1 (LCN1) LDTP03571 99.73  LDD1895 
Opiorphin prepropeptide (OPRPN) LDTP11009 15.67  LDD1895 
Opiorphin prepropeptide (OPRPN) LDTP11009 15.67  LDD1895 
Seizure 6-like protein 2 (SEZ6L2) LDTP07703 14.83  LDD1895 
Seizure 6-like protein 2 (SEZ6L2) LDTP07703 14.83  LDD1895 
Tetraspanin-6 (TSPAN6) LDTP14458 8.17  LDD1895 
Tetraspanin-6 (TSPAN6) LDTP14458 8.17  LDD1895 
Trans-Golgi network integral membrane protein 2 (TGOLN2) LDTP00779 8.46  LDD1895 
Trans-Golgi network integral membrane protein 2 (TGOLN2) LDTP00779 8.46  LDD1895 
------------------------------------------------------------------------------------
⏷ Show the Full List of 36 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