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

62 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5'-3' exonuclease PLD3 (PLD3) LDTP08476 18.77  LDD1744 
5'-3' exonuclease PLD3 (PLD3) LDTP08476 18.77  LDD1744 
Acid ceramidase (ASAH1) LDTP05905 5.78  LDD1744 
Acid ceramidase (ASAH1) LDTP05905 5.78  LDD1744 
Alpha-galactosidase A (GLA) LDTP02141 10.20  LDD1744 
Alpha-galactosidase A (GLA) LDTP02141 10.20  LDD1744 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 8.46  LDD1744 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 8.46  LDD1744 
Beta-galactosidase (GLB1) LDTP02837 6.36  LDD1744 
Beta-galactosidase (GLB1) LDTP02837 6.36  LDD1744 
Beta-hexosaminidase subunit alpha (HEXA) LDTP02169 9.65  LDD1744 
Beta-hexosaminidase subunit alpha (HEXA) LDTP02169 9.65  LDD1744 
Beta-hexosaminidase subunit beta (HEXB) LDTP02216 5.58  LDD1744 
Beta-hexosaminidase subunit beta (HEXB) LDTP02216 5.58  LDD1744 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 11.96  LDD1744 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 11.96  LDD1744 
Carboxypeptidase D (CPD) LDTP01372 6.19  LDD1744 
Carboxypeptidase D (CPD) LDTP01372 6.19  LDD1744 
Delta(24)-sterol reductase (DHCR24) LDTP06375 11.55  LDD1744 
Delta(24)-sterol reductase (DHCR24) LDTP06375 11.55  LDD1744 
Dipeptidyl peptidase 1 (CTSC) LDTP04572 9.06  LDD1744 
Dipeptidyl peptidase 1 (CTSC) LDTP04572 9.06  LDD1744 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 13.64  LDD1744 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 13.64  LDD1744 
Gamma-glutamyl hydrolase (GGH) LDTP09886 5.90  LDD1744 
Gamma-glutamyl hydrolase (GGH) LDTP09886 5.90  LDD1744 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 6.02  LDD1744 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 6.02  LDD1744 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 12.73  LDD1744 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 12.73  LDD1744 
Lysosomal acid phosphatase (ACP2) LDTP02539 9.19  LDD1744 
Lysosomal acid phosphatase (ACP2) LDTP02539 9.19  LDD1744 
Lysosomal alpha-mannosidase (MAN2B1) LDTP00338 7.46  LDD1744 
Lysosomal alpha-mannosidase (MAN2B1) LDTP00338 7.46  LDD1744 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.31  LDD1744 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.31  LDD1744 
Lysosomal protective protein (CTSA) LDTP02505 5.50  LDD1744 
Lysosomal protective protein (CTSA) LDTP02505 5.50  LDD1744 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 15.89  LDD1744 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 15.89  LDD1744 
N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 17.51  LDD1744 
N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 17.51  LDD1744 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 8.88  LDD1744 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 8.88  LDD1744 
Phospholipase A2 group XV (PLA2G15) LDTP09088 6.50  LDD1744 
Phospholipase A2 group XV (PLA2G15) LDTP09088 6.50  LDD1744 
Plasma alpha-L-fucosidase (FUCA2) LDTP11215 8.51  LDD1744 
Plasma alpha-L-fucosidase (FUCA2) LDTP11215 8.51  LDD1744 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 10.20  LDD1744 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 10.20  LDD1744 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 9.38  LDD1744 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 9.38  LDD1744 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 15.56  LDD1744 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 15.56  LDD1744 
Ribonuclease T2 (RNASET2) LDTP00316 12.73  LDD1744 
Ribonuclease T2 (RNASET2) LDTP00316 12.73  LDD1744 
Sphingomyelin phosphodiesterase (SMPD1) LDTP02896 5.21  LDD1744 
Sphingomyelin phosphodiesterase (SMPD1) LDTP02896 5.21  LDD1744 
Tissue alpha-L-fucosidase (FUCA1) LDTP02006 11.00  LDD1744 
Tissue alpha-L-fucosidase (FUCA1) LDTP02006 11.00  LDD1744 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 11.24  LDD1744 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 11.24  LDD1744 
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⏷ Show the Full List of 62 Enzyme
24 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 
Cation-independent mannose-6-phosphate receptor (IGF2R) LDTP02586 7.11  LDD1744 
Integral membrane protein 2C (ITM2C) LDTP12451 5.78  LDD1744 
Integral membrane protein 2C (ITM2C) LDTP12451 5.78  LDD1744 
Lysosome membrane protein 2 (SCARB2) LDTP06034 8.46  LDD1744 
Lysosome membrane protein 2 (SCARB2) LDTP06034 8.46  LDD1744 
Lysosome-associated membrane glycoprotein 1 (LAMP1) LDTP02562 5.90  LDD1744 
Lysosome-associated membrane glycoprotein 1 (LAMP1) LDTP02562 5.90  LDD1744 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 6.96  LDD1744 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 6.96  LDD1744 
NPC intracellular cholesterol transporter 2 (NPC2) LDTP04940 7.89  LDD1744 
NPC intracellular cholesterol transporter 2 (NPC2) LDTP04940 7.89  LDD1744 
Prosaposin (PSAP) LDTP02215 9.45  LDD1744 
Prosaposin (PSAP) LDTP02215 9.45  LDD1744 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 5.06  LDD1744 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 5.06  LDD1744 
Sortilin (SORT1) LDTP10885 5.62  LDD1744 
Sortilin (SORT1) LDTP10885 5.62  LDD1744 
Stomatin (STOM) LDTP03380 4.99  LDD1744 
Stomatin (STOM) LDTP03380 4.99  LDD1744 
Transferrin receptor protein 1 (TFRC) LDTP01969 4.99  LDD1744 
Transferrin receptor protein 1 (TFRC) LDTP01969 4.99  LDD1744 
V-type proton ATPase subunit S1 (ATP6AP1) LDTP06499 4.92  LDD1744 
V-type proton ATPase subunit S1 (ATP6AP1) LDTP06499 4.92  LDD1744 
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⏷ Show the Full List of 24 Transporter and channel
2 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Neogenin (NEO1) LDTP09907 8.69  LDD1744 
Neogenin (NEO1) LDTP09907 8.69  LDD1744 
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24 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Collectin-12 (COLEC12) LDTP07031 6.28  LDD1744 
Collectin-12 (COLEC12) LDTP07031 6.28  LDD1744 
Dyslexia-associated protein KIAA0319-like protein (KIAA0319L) LDTP08689 6.32  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 
EF-hand calcium-binding domain-containing protein 14 (EFCAB14) LDTP19021 8.75  LDD1744 
Galectin-3-binding protein (LGALS3BP) LDTP05558 9.45  LDD1744 
Galectin-3-binding protein (LGALS3BP) LDTP05558 9.45  LDD1744 
Ganglioside GM2 activator (GM2A) LDTP02927 15.03  LDD1744 
Ganglioside GM2 activator (GM2A) LDTP02927 15.03  LDD1744 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 8.06  LDD1744 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 8.06  LDD1744 
Nicastrin (NCSTN) LDTP09787 5.21  LDD1744 
Nicastrin (NCSTN) LDTP09787 5.21  LDD1744 
Rab9 effector protein with kelch motifs (RABEPK) LDTP08130 6.68  LDD1744 
Rab9 effector protein with kelch motifs (RABEPK) LDTP08130 6.68  LDD1744 
Synaptic vesicle glycoprotein 2A (SV2A) LDTP07934 5.46  LDD1744 
Synaptic vesicle glycoprotein 2A (SV2A) LDTP07934 5.46  LDD1744 
Tetraspanin-6 (TSPAN6) LDTP14458 7.62  LDD1744 
Tetraspanin-6 (TSPAN6) LDTP14458 7.62  LDD1744 
Trans-Golgi network integral membrane protein 2 (TGOLN2) LDTP00779 9.32  LDD1744 
Trans-Golgi network integral membrane protein 2 (TGOLN2) LDTP00779 9.32  LDD1744 
Trophoblast glycoprotein (TPBG) LDTP05960 6.28  LDD1744 
Trophoblast glycoprotein (TPBG) LDTP05960 6.28  LDD1744 
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⏷ Show the Full List of 24 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