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

23 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Alpha-galactosidase A (GLA) LDTP02141 6.92  LDD1769 
Arylsulfatase A (ARSA) LDTP02776 5.62  LDD1769 
Beta-hexosaminidase subunit alpha (HEXA) LDTP02169 5.06  LDD1769 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 7.16  LDD1769 
Carboxypeptidase D (CPD) LDTP01372 5.74  LDD1769 
Delta(24)-sterol reductase (DHCR24) LDTP06375 19.29  LDD1769 
Dipeptidyl peptidase 1 (CTSC) LDTP04572 5.06  LDD1769 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 10.06  LDD1769 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 5.24  LDD1769 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 5.50  LDD1769 
Legumain (LGMN) LDTP10888 6.73  LDD1769 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 12.21  LDD1769 
Lysosomal acid phosphatase (ACP2) LDTP02539 5.54  LDD1769 
Lysosomal alpha-glucosidase (GAA) LDTP02486 5.66  LDD1769 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.03  LDD1769 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 11.88  LDD1769 
N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 10.48  LDD1769 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 5.46  LDD1769 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 7.06  LDD1769 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 9.32  LDD1769 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 9.92  LDD1769 
Tissue alpha-L-fucosidase (FUCA1) LDTP02006 5.86  LDD1769 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 9.00  LDD1769 
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⏷ Show the Full List of 23 Enzyme
10 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 
Cation-independent mannose-6-phosphate receptor (IGF2R) LDTP02586 5.58  LDD1769 
Integral membrane protein 2B (ITM2B) LDTP13833 7.31  LDD1769 
Lysosome membrane protein 2 (SCARB2) LDTP06034 5.74  LDD1769 
Lysosome-associated membrane glycoprotein 2 (LAMP2) LDTP02655 7.31  LDD1769 
NPC intracellular cholesterol transporter 2 (NPC2) LDTP04940 6.77  LDD1769 
Prosaposin (PSAP) LDTP02215 6.45  LDD1769 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 7.78  LDD1769 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.21  LDD1769 
Transferrin receptor protein 1 (TFRC) LDTP01969 5.98  LDD1769 
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⏷ Show the Full List of 10 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 9.71  LDD1769 
Neogenin (NEO1) LDTP09907 12.91  LDD1769 
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13 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 
CD320 antigen (CD320) LDTP12352 5.35  LDD1769 
Collectin-12 (COLEC12) LDTP07031 7.06  LDD1769 
Desmocollin-3 (DSC3) LDTP06154 5.03  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 
Galectin-3-binding protein (LGALS3BP) LDTP05558 6.28  LDD1769 
Ganglioside GM2 activator (GM2A) LDTP02927 6.50  LDD1769 
Golgi membrane protein 1 (GOLM1) LDTP09054 4.96  LDD1769 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 7.57  LDD1769 
Protein CutA (CUTA) LDTP01075 5.35  LDD1769 
Seizure 6-like protein 2 (SEZ6L2) LDTP07703 10.06  LDD1769 
Trophoblast glycoprotein (TPBG) LDTP05960 5.90  LDD1769 
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⏷ Show the Full List of 13 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