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

58 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 
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (EBP) LDTP06325 6.68  LDD1844 
5'-3' exonuclease PLD3 (PLD3) LDTP08476 6.06  LDD1844 
5'-3' exonuclease PLD3 (PLD3) LDTP08476 6.06  LDD1844 
Alpha-galactosidase A (GLA) LDTP02141 10.20  LDD1844 
Alpha-galactosidase A (GLA) LDTP02141 10.20  LDD1844 
Beta-hexosaminidase subunit alpha (HEXA) LDTP02169 6.06  LDD1844 
Beta-hexosaminidase subunit alpha (HEXA) LDTP02169 6.06  LDD1844 
Bifunctional epoxide hydrolase 2 (EPHX2) LDTP03692 5.90  LDD1844 
Bifunctional epoxide hydrolase 2 (EPHX2) LDTP03692 5.90  LDD1844 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 7.21  LDD1844 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 7.21  LDD1844 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 15.35  LDD1844 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 15.35  LDD1844 
Carboxypeptidase D (CPD) LDTP01372 5.94  LDD1844 
Carboxypeptidase D (CPD) LDTP01372 5.94  LDD1844 
Choline kinase alpha (CHKA) LDTP03787 7.16  LDD1844 
Choline kinase alpha (CHKA) LDTP03787 7.16  LDD1844 
Delta(24)-sterol reductase (DHCR24) LDTP06375 7.06  LDD1844 
Delta(24)-sterol reductase (DHCR24) LDTP06375 7.06  LDD1844 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 6.23  LDD1844 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 6.23  LDD1844 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 5.10  LDD1844 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 5.10  LDD1844 
Legumain (LGMN) LDTP10888 8.69  LDD1844 
Legumain (LGMN) LDTP10888 8.69  LDD1844 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 11.96  LDD1844 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 11.96  LDD1844 
Lysosomal acid phosphatase (ACP2) LDTP02539 5.90  LDD1844 
Lysosomal acid phosphatase (ACP2) LDTP02539 5.90  LDD1844 
Lysosomal alpha-glucosidase (GAA) LDTP02486 5.58  LDD1844 
Lysosomal alpha-glucosidase (GAA) LDTP02486 5.58  LDD1844 
Lysosomal protective protein (CTSA) LDTP02505 8.46  LDD1844 
Lysosomal protective protein (CTSA) LDTP02505 8.46  LDD1844 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 13.45  LDD1844 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 13.45  LDD1844 
N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 6.36  LDD1844 
N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 6.36  LDD1844 
N-alpha-acetyltransferase 40 (NAA40) LDTP08265 5.94  LDD1844 
N-alpha-acetyltransferase 40 (NAA40) LDTP08265 5.94  LDD1844 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 5.31  LDD1844 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 5.31  LDD1844 
Plasma alpha-L-fucosidase (FUCA2) LDTP11215 6.36  LDD1844 
Plasma alpha-L-fucosidase (FUCA2) LDTP11215 6.36  LDD1844 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 16.34  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 
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 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 11.16  LDD1844 
Ribonuclease T2 (RNASET2) LDTP00316 10.70  LDD1844 
Ribonuclease T2 (RNASET2) LDTP00316 10.70  LDD1844 
Signal peptide peptidase-like 2A (SPPL2A) LDTP09395 5.98  LDD1844 
Signal peptide peptidase-like 2A (SPPL2A) LDTP09395 5.98  LDD1844 
Sterol O-acyltransferase 1 (SOAT1) LDTP03769 4.99  LDD1844 
Sterol O-acyltransferase 1 (SOAT1) LDTP03769 4.99  LDD1844 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 9.65  LDD1844 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 9.65  LDD1844 
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⏷ Show the Full List of 58 Enzyme
18 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 
Amyloid-beta precursor protein (APP) LDTP02071 13.83  LDD1844 
Cation-independent mannose-6-phosphate receptor (IGF2R) LDTP02586 6.23  LDD1844 
Cation-independent mannose-6-phosphate receptor (IGF2R) LDTP02586 6.23  LDD1844 
Lysosome-associated membrane glycoprotein 2 (LAMP2) LDTP02655 5.58  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-A (TIMM17A) LDTP10913 10.41  LDD1844 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 9.85  LDD1844 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 9.85  LDD1844 
Prosaposin (PSAP) LDTP02215 10.20  LDD1844 
Prosaposin (PSAP) LDTP02215 10.20  LDD1844 
Sortilin (SORT1) LDTP10885 6.96  LDD1844 
Sortilin (SORT1) LDTP10885 6.96  LDD1844 
Tetraspanin-3 (TSPAN3) LDTP16813 9.00  LDD1844 
Tetraspanin-3 (TSPAN3) LDTP16813 9.00  LDD1844 
Transferrin receptor protein 1 (TFRC) LDTP01969 6.82  LDD1844 
Transferrin receptor protein 1 (TFRC) LDTP01969 6.82  LDD1844 
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⏷ Show the Full List of 18 Transporter and channel
8 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Collectin-12 (COLEC12) LDTP07031 4.92  LDD1844 
Collectin-12 (COLEC12) LDTP07031 4.92  LDD1844 
Galectin-3-binding protein (LGALS3BP) LDTP05558 6.19  LDD1844 
Galectin-3-binding protein (LGALS3BP) LDTP05558 6.19  LDD1844 
Ganglioside GM2 activator (GM2A) LDTP02927 5.66  LDD1844 
Ganglioside GM2 activator (GM2A) LDTP02927 5.66  LDD1844 
Protein unc-119 homolog B (UNC119B) LDTP00105 5.54  LDD1844 
Protein unc-119 homolog B (UNC119B) LDTP00105 5.54  LDD1844 
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⏷ Show the Full List of 8 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
 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