Details of the Probe

General Information of Probe

Probe ID
LDPC0404
Probe Name
C164
Synonyms
Z4282860098
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 330.5
Lipid-water partition coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H30N4O
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-1-[2-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
Canonical SMILES
CC1CCN(CC1)CC2CCCN2C(=O)CCC3(N=N3)CCC#C
InChI
InChI=1S/C19H30N4O/c1-3-4-10-19(20-21-19)11-7-18(24)23-12-5-6-17(23)15-22-13-8-16(2)9-14-22/h1,16-17H,4-15H2,2H3
InChIKey
ZJOIUYJLMWFAOU-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

29 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (EBP) LDTP06325 6.68  LDD1844 
5'-3' exonuclease PLD3 (PLD3) LDTP08476 6.06  LDD1844 
Alpha-galactosidase A (GLA) LDTP02141 10.20  LDD1844 
Beta-hexosaminidase subunit alpha (HEXA) LDTP02169 6.06  LDD1844 
Bifunctional epoxide hydrolase 2 (EPHX2) LDTP03692 5.90  LDD1844 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 7.21  LDD1844 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 15.35  LDD1844 
Carboxypeptidase D (CPD) LDTP01372 5.94  LDD1844 
Choline kinase alpha (CHKA) LDTP03787 7.16  LDD1844 
Delta(24)-sterol reductase (DHCR24) LDTP06375 7.06  LDD1844 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 6.23  LDD1844 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 5.10  LDD1844 
Legumain (LGMN) LDTP10888 8.69  LDD1844 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 11.96  LDD1844 
Lysosomal acid phosphatase (ACP2) LDTP02539 5.90  LDD1844 
Lysosomal alpha-glucosidase (GAA) LDTP02486 5.58  LDD1844 
Lysosomal protective protein (CTSA) LDTP02505 8.46  LDD1844 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 13.45  LDD1844 
N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 6.36  LDD1844 
N-alpha-acetyltransferase 40 (NAA40) LDTP08265 5.94  LDD1844 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 5.31  LDD1844 
Plasma alpha-L-fucosidase (FUCA2) LDTP11215 6.36  LDD1844 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 16.34  LDD1844 
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (PDE6D) LDTP00907 13.00  LDD1844 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 11.16  LDD1844 
Ribonuclease T2 (RNASET2) LDTP00316 10.70  LDD1844 
Signal peptide peptidase-like 2A (SPPL2A) LDTP09395 5.98  LDD1844 
Sterol O-acyltransferase 1 (SOAT1) LDTP03769 4.99  LDD1844 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 9.65  LDD1844 
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⏷ Show the Full List of 29 Enzyme
9 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Amyloid-beta precursor protein (APP) LDTP02071 13.83  LDD1844 
Cation-independent mannose-6-phosphate receptor (IGF2R) LDTP02586 6.23  LDD1844 
Lysosome-associated membrane glycoprotein 2 (LAMP2) LDTP02655 5.58  LDD1844 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 10.41  LDD1844 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 9.85  LDD1844 
Prosaposin (PSAP) LDTP02215 10.20  LDD1844 
Sortilin (SORT1) LDTP10885 6.96  LDD1844 
Tetraspanin-3 (TSPAN3) LDTP16813 9.00  LDD1844 
Transferrin receptor protein 1 (TFRC) LDTP01969 6.82  LDD1844 
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⏷ Show the Full List of 9 Transporter and channel
4 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Collectin-12 (COLEC12) LDTP07031 4.92  LDD1844 
Galectin-3-binding protein (LGALS3BP) LDTP05558 6.19  LDD1844 
Ganglioside GM2 activator (GM2A) LDTP02927 5.66  LDD1844 
Protein unc-119 homolog B (UNC119B) LDTP00105 5.54  LDD1844 
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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
 LDD1844 
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