Details of the Probe

General Information of Probe

Probe ID
LDPC0304
Probe Name
C045
Synonyms
3-(3-but-3-ynyldiazirin-3-yl)-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]propanamide
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 373.5
Lipid-water partition coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C21H35N5O
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]propanamide
Canonical SMILES
CN1CCC(CC1)N2CCC(CC2)CCNC(=O)CCC3(N=N3)CCC#C
InChI
InChI=1S/C21H35N5O/c1-3-4-11-21(23-24-21)12-5-20(27)22-13-6-18-7-16-26(17-8-18)19-9-14-25(2)15-10-19/h1,18-19H,4-17H2,2H3,(H,22,27)
InChIKey
QVPDXZLWGRWKAE-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

31 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5'-3' exonuclease PLD3 (PLD3) LDTP08476 18.77  LDD1744 
Acid ceramidase (ASAH1) LDTP05905 5.78  LDD1744 
Alpha-galactosidase A (GLA) LDTP02141 10.20  LDD1744 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 8.46  LDD1744 
Beta-galactosidase (GLB1) LDTP02837 6.36  LDD1744 
Beta-hexosaminidase subunit alpha (HEXA) LDTP02169 9.65  LDD1744 
Beta-hexosaminidase subunit beta (HEXB) LDTP02216 5.58  LDD1744 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 11.96  LDD1744 
Carboxypeptidase D (CPD) LDTP01372 6.19  LDD1744 
Delta(24)-sterol reductase (DHCR24) LDTP06375 11.55  LDD1744 
Dipeptidyl peptidase 1 (CTSC) LDTP04572 9.06  LDD1744 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 13.64  LDD1744 
Gamma-glutamyl hydrolase (GGH) LDTP09886 5.90  LDD1744 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 6.02  LDD1744 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 12.73  LDD1744 
Lysosomal acid phosphatase (ACP2) LDTP02539 9.19  LDD1744 
Lysosomal alpha-mannosidase (MAN2B1) LDTP00338 7.46  LDD1744 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.31  LDD1744 
Lysosomal protective protein (CTSA) LDTP02505 5.50  LDD1744 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 15.89  LDD1744 
N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 17.51  LDD1744 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 8.88  LDD1744 
Phospholipase A2 group XV (PLA2G15) LDTP09088 6.50  LDD1744 
Plasma alpha-L-fucosidase (FUCA2) LDTP11215 8.51  LDD1744 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 10.20  LDD1744 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 9.38  LDD1744 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 15.56  LDD1744 
Ribonuclease T2 (RNASET2) LDTP00316 12.73  LDD1744 
Sphingomyelin phosphodiesterase (SMPD1) LDTP02896 5.21  LDD1744 
Tissue alpha-L-fucosidase (FUCA1) LDTP02006 11.00  LDD1744 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 11.24  LDD1744 
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⏷ Show the Full List of 31 Enzyme
12 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Cation-independent mannose-6-phosphate receptor (IGF2R) LDTP02586 7.11  LDD1744 
Integral membrane protein 2C (ITM2C) LDTP12451 5.78  LDD1744 
Lysosome membrane protein 2 (SCARB2) LDTP06034 8.46  LDD1744 
Lysosome-associated membrane glycoprotein 1 (LAMP1) LDTP02562 5.90  LDD1744 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 6.96  LDD1744 
NPC intracellular cholesterol transporter 2 (NPC2) LDTP04940 7.89  LDD1744 
Prosaposin (PSAP) LDTP02215 9.45  LDD1744 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 5.06  LDD1744 
Sortilin (SORT1) LDTP10885 5.62  LDD1744 
Stomatin (STOM) LDTP03380 4.99  LDD1744 
Transferrin receptor protein 1 (TFRC) LDTP01969 4.99  LDD1744 
V-type proton ATPase subunit S1 (ATP6AP1) LDTP06499 4.92  LDD1744 
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⏷ Show the Full List of 12 Transporter and channel
1 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Neogenin (NEO1) LDTP09907 8.69  LDD1744 
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12 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Collectin-12 (COLEC12) LDTP07031 6.28  LDD1744 
Dyslexia-associated protein KIAA0319-like protein (KIAA0319L) LDTP08689 6.32  LDD1744 
EF-hand calcium-binding domain-containing protein 14 (EFCAB14) LDTP19021 8.75  LDD1744 
Galectin-3-binding protein (LGALS3BP) LDTP05558 9.45  LDD1744 
Ganglioside GM2 activator (GM2A) LDTP02927 15.03  LDD1744 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 8.06  LDD1744 
Nicastrin (NCSTN) LDTP09787 5.21  LDD1744 
Rab9 effector protein with kelch motifs (RABEPK) LDTP08130 6.68  LDD1744 
Synaptic vesicle glycoprotein 2A (SV2A) LDTP07934 5.46  LDD1744 
Tetraspanin-6 (TSPAN6) LDTP14458 7.62  LDD1744 
Trans-Golgi network integral membrane protein 2 (TGOLN2) LDTP00779 9.32  LDD1744 
Trophoblast glycoprotein (TPBG) LDTP05960 6.28  LDD1744 
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⏷ Show the Full List of 12 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
 LDD1744 
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