Details of the Probe

General Information of Probe

Probe ID
LDPC0422
Probe Name
C184
Synonyms
Z4282859987
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 302.37
Lipid-water partition coefficient (xlogp) 1.3
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C16H22N4O2
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-[2-(dimethylamino)-1-(furan-2-yl)ethyl]propanamide
Canonical SMILES
CN(C)CC(C1=CC=CO1)NC(=O)CCC2(N=N2)CCC#C
InChI
InChI=1S/C16H22N4O2/c1-4-5-9-16(18-19-16)10-8-15(21)17-13(12-20(2)3)14-7-6-11-22-14/h1,6-7,11,13H,5,8-10,12H2,2-3H3,(H,17,21)
InChIKey
VJFINGOUMAWJHD-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

15 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5'-3' exonuclease PLD3 (PLD3) LDTP08476 7.52  LDD1862 
Cathepsin Z (CTSZ) LDTP13147 18.51  LDD1862 
Delta(24)-sterol reductase (DHCR24) LDTP06375 11.71  LDD1862 
Gamma-glutamyl hydrolase (GGH) LDTP09886 6.54  LDD1862 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 5.17  LDD1862 
Legumain (LGMN) LDTP10888 8.17  LDD1862 
Lysosomal acid phosphatase (ACP2) LDTP02539 5.28  LDD1862 
N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 5.62  LDD1862 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 6.28  LDD1862 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 8.40  LDD1862 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 8.82  LDD1862 
Ribonuclease T2 (RNASET2) LDTP00316 7.73  LDD1862 
Signal peptide peptidase-like 2A (SPPL2A) LDTP09395 8.06  LDD1862 
Tissue alpha-L-fucosidase (FUCA1) LDTP02006 5.78  LDD1862 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 6.36  LDD1862 
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⏷ Show the Full List of 15 Enzyme
4 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Amyloid-beta precursor protein (APP) LDTP02071 6.15  LDD1862 
NPC intracellular cholesterol transporter 2 (NPC2) LDTP04940 6.28  LDD1862 
Protein tweety homolog 3 (TTYH3) LDTP11615 6.54  LDD1862 
Tetraspanin-3 (TSPAN3) LDTP16813 7.21  LDD1862 
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1 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Neogenin (NEO1) LDTP09907 6.82  LDD1862 
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2 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Galectin-3-binding protein (LGALS3BP) LDTP05558 6.02  LDD1862 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 6.41  LDD1862 
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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
 LDD1862 
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