Details of the Probe

General Information of Probe

Probe ID
LDPC0329
Probe Name
C073
Synonyms
Z4250670130
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 318.4
Lipid-water partition coefficient (xlogp) 0.5
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C17H26N4O2
IUPAC Name
1-[(3aR,7aS)-7a-(hydroxymethyl)-5-methyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-2-yl]-3-(3-but-3-ynyldiazirin-3-yl)propan-1-one
Canonical SMILES
CN1CCC2(CN(CC2C1)C(=O)CCC3(N=N3)CCC#C)CO
InChI
InChI=1S/C17H26N4O2/c1-3-4-6-17(18-19-17)7-5-15(23)21-11-14-10-20(2)9-8-16(14,12-21)13-22/h1,14,22H,4-13H2,2H3/t14-,16+/m1/s1
InChIKey
ZBGBFLTXDQFNAU-ZBFHGGJFSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

46 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Alpha-galactosidase A (GLA) LDTP02141 6.92  LDD1769 
Alpha-galactosidase A (GLA) LDTP02141 6.92  LDD1769 
Arylsulfatase A (ARSA) LDTP02776 5.62  LDD1769 
Arylsulfatase A (ARSA) LDTP02776 5.62  LDD1769 
Beta-hexosaminidase subunit alpha (HEXA) LDTP02169 5.06  LDD1769 
Beta-hexosaminidase subunit alpha (HEXA) LDTP02169 5.06  LDD1769 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 7.16  LDD1769 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 7.16  LDD1769 
Carboxypeptidase D (CPD) LDTP01372 5.74  LDD1769 
Carboxypeptidase D (CPD) LDTP01372 5.74  LDD1769 
Delta(24)-sterol reductase (DHCR24) LDTP06375 19.29  LDD1769 
Delta(24)-sterol reductase (DHCR24) LDTP06375 19.29  LDD1769 
Dipeptidyl peptidase 1 (CTSC) LDTP04572 5.06  LDD1769 
Dipeptidyl peptidase 1 (CTSC) LDTP04572 5.06  LDD1769 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 10.06  LDD1769 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 10.06  LDD1769 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 5.24  LDD1769 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 5.24  LDD1769 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 5.50  LDD1769 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 5.50  LDD1769 
Legumain (LGMN) LDTP10888 6.73  LDD1769 
Legumain (LGMN) LDTP10888 6.73  LDD1769 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 12.21  LDD1769 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 12.21  LDD1769 
Lysosomal acid phosphatase (ACP2) LDTP02539 5.54  LDD1769 
Lysosomal acid phosphatase (ACP2) LDTP02539 5.54  LDD1769 
Lysosomal alpha-glucosidase (GAA) LDTP02486 5.66  LDD1769 
Lysosomal alpha-glucosidase (GAA) LDTP02486 5.66  LDD1769 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.03  LDD1769 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.03  LDD1769 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 11.88  LDD1769 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 11.88  LDD1769 
N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 10.48  LDD1769 
N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 10.48  LDD1769 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 5.46  LDD1769 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 5.46  LDD1769 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 7.06  LDD1769 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 7.06  LDD1769 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 9.32  LDD1769 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 9.32  LDD1769 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 9.92  LDD1769 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 9.92  LDD1769 
Tissue alpha-L-fucosidase (FUCA1) LDTP02006 5.86  LDD1769 
Tissue alpha-L-fucosidase (FUCA1) LDTP02006 5.86  LDD1769 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 9.00  LDD1769 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 9.00  LDD1769 
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⏷ Show the Full List of 46 Enzyme
20 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Amyloid-beta precursor protein (APP) LDTP02071 11.47  LDD1769 
Amyloid-beta precursor protein (APP) LDTP02071 11.47  LDD1769 
Cation-independent mannose-6-phosphate receptor (IGF2R) LDTP02586 5.58  LDD1769 
Cation-independent mannose-6-phosphate receptor (IGF2R) LDTP02586 5.58  LDD1769 
Integral membrane protein 2B (ITM2B) LDTP13833 7.31  LDD1769 
Integral membrane protein 2B (ITM2B) LDTP13833 7.31  LDD1769 
Lysosome membrane protein 2 (SCARB2) LDTP06034 5.74  LDD1769 
Lysosome membrane protein 2 (SCARB2) LDTP06034 5.74  LDD1769 
Lysosome-associated membrane glycoprotein 2 (LAMP2) LDTP02655 7.31  LDD1769 
Lysosome-associated membrane glycoprotein 2 (LAMP2) LDTP02655 7.31  LDD1769 
NPC intracellular cholesterol transporter 2 (NPC2) LDTP04940 6.77  LDD1769 
NPC intracellular cholesterol transporter 2 (NPC2) LDTP04940 6.77  LDD1769 
Prosaposin (PSAP) LDTP02215 6.45  LDD1769 
Prosaposin (PSAP) LDTP02215 6.45  LDD1769 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 7.78  LDD1769 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 7.78  LDD1769 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.21  LDD1769 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.21  LDD1769 
Transferrin receptor protein 1 (TFRC) LDTP01969 5.98  LDD1769 
Transferrin receptor protein 1 (TFRC) LDTP01969 5.98  LDD1769 
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⏷ Show the Full List of 20 Transporter and channel
4 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
IgG receptor FcRn large subunit p51 (FCGRT) LDTP04720 9.71  LDD1769 
IgG receptor FcRn large subunit p51 (FCGRT) LDTP04720 9.71  LDD1769 
Neogenin (NEO1) LDTP09907 12.91  LDD1769 
Neogenin (NEO1) LDTP09907 12.91  LDD1769 
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26 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Amyloid beta precursor like protein 2 (APLP2) LDTP05491 12.64  LDD1769 
Amyloid beta precursor like protein 2 (APLP2) LDTP05491 12.64  LDD1769 
CD320 antigen (CD320) LDTP12352 5.35  LDD1769 
CD320 antigen (CD320) LDTP12352 5.35  LDD1769 
Collectin-12 (COLEC12) LDTP07031 7.06  LDD1769 
Collectin-12 (COLEC12) LDTP07031 7.06  LDD1769 
Desmocollin-3 (DSC3) LDTP06154 5.03  LDD1769 
Desmocollin-3 (DSC3) LDTP06154 5.03  LDD1769 
Dyslexia-associated protein KIAA0319-like protein (KIAA0319L) LDTP08689 8.00  LDD1769 
Dyslexia-associated protein KIAA0319-like protein (KIAA0319L) LDTP08689 8.00  LDD1769 
EF-hand calcium-binding domain-containing protein 14 (EFCAB14) LDTP19021 6.02  LDD1769 
EF-hand calcium-binding domain-containing protein 14 (EFCAB14) LDTP19021 6.02  LDD1769 
Galectin-3-binding protein (LGALS3BP) LDTP05558 6.28  LDD1769 
Galectin-3-binding protein (LGALS3BP) LDTP05558 6.28  LDD1769 
Ganglioside GM2 activator (GM2A) LDTP02927 6.50  LDD1769 
Ganglioside GM2 activator (GM2A) LDTP02927 6.50  LDD1769 
Golgi membrane protein 1 (GOLM1) LDTP09054 4.96  LDD1769 
Golgi membrane protein 1 (GOLM1) LDTP09054 4.96  LDD1769 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 7.57  LDD1769 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 7.57  LDD1769 
Protein CutA (CUTA) LDTP01075 5.35  LDD1769 
Protein CutA (CUTA) LDTP01075 5.35  LDD1769 
Seizure 6-like protein 2 (SEZ6L2) LDTP07703 10.06  LDD1769 
Seizure 6-like protein 2 (SEZ6L2) LDTP07703 10.06  LDD1769 
Trophoblast glycoprotein (TPBG) LDTP05960 5.90  LDD1769 
Trophoblast glycoprotein (TPBG) LDTP05960 5.90  LDD1769 
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⏷ Show the Full List of 26 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
 LDD1769 
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