Details of the Probe

General Information of Probe

Probe ID
LDPC0296
Probe Name
C036
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 316.449
Lipid-water partition coefficient (xlogp) 2.7228
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C18H28N4O
Canonical SMILES
C#CCCC1(CCNC(=O)C23CCC(N(C)C)(CC2)CC3)N=N1
InChI
InChI=1S/C18H28N4O/c1-4-5-6-18(20-21-18)13-14-19-15(23)16-7-10-17(11-8-16,12-9-16)22(2)3/h1H,5-14H2,2-3H3,(H,19,23)
InChIKey
IRFNPKDGRZDHLY-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

11 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 9.92  LDD1736 
Cathepsin B (CTSB) LDTP02223 10.41  LDD1736 
Delta(24)-sterol reductase (DHCR24) LDTP06375 5.17  LDD1736 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 10.13  LDD1736 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 8.22  LDD1736 
Lysosomal acid phosphatase (ACP2) LDTP02539 5.35  LDD1736 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 7.46  LDD1736 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 5.54  LDD1736 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 7.62  LDD1736 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 8.11  LDD1736 
Ribonuclease T2 (RNASET2) LDTP00316 5.62  LDD1736 
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⏷ Show the Full List of 11 Enzyme
8 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Amyloid-beta precursor protein (APP) LDTP02071 8.11  LDD1736 
Cation-independent mannose-6-phosphate receptor (IGF2R) LDTP02586 5.90  LDD1736 
Lysosome membrane protein 2 (SCARB2) LDTP06034 6.45  LDD1736 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 6.59  LDD1736 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 5.21  LDD1736 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 7.31  LDD1736 
Sortilin (SORT1) LDTP10885 5.24  LDD1736 
Transferrin receptor protein 1 (TFRC) LDTP01969 5.46  LDD1736 
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⏷ Show the Full List of 8 Transporter and channel
2 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Amyloid beta precursor like protein 2 (APLP2) LDTP05491 6.54  LDD1736 
Neuferricin (CYB5D2) LDTP15623 5.82  LDD1736 
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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
 LDD1736 
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