Details of the Probe

General Information of Probe

Probe ID
LDPC0643
Probe Name
C428
Synonyms
Z3426152142
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 335.4
Lipid-water partition coefficient (xlogp) 1.5
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C19H21N5O
IUPAC Name
1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]-3-pyridin-2-ylpiperidine-3-carbonitrile
Canonical SMILES
C#CCCC1(N=N1)CCC(=O)N2CCCC(C2)(C#N)C3=CC=CC=N3
InChI
InChI=1S/C19H21N5O/c1-2-3-10-19(22-23-19)11-8-17(25)24-13-6-9-18(14-20,15-24)16-7-4-5-12-21-16/h1,4-5,7,12H,3,6,8-11,13,15H2
InChIKey
BWSDPGSMKUKAKA-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

36 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
4'-phosphopantetheine phosphatase (PANK4) LDTP12673 7.06  LDD2083 
Beta-1,4-glucuronyltransferase 1 (B4GAT1) LDTP00783 5.70  LDD2083 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 8.22  LDD2083 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 5.21  LDD2083 
Cathepsin B (CTSB) LDTP02223 7.06  LDD2083 
Ceramide synthase 2 (CERS2) LDTP10329 7.78  LDD2083 
Delta(24)-sterol reductase (DHCR24) LDTP06375 15.35  LDD2083 
Enoyl-CoA delta isomerase 1, mitochondrial (ECI1) LDTP03965 11.08  LDD2083 
Epoxide hydrolase 1 (EPHX1) LDTP02175 19.56  LDD2083 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 19.43  LDD2083 
Heme oxygenase 2 (HMOX2) LDTP03540 7.36  LDD2083 
Histone PARylation factor 1 (HPF1) LDTP12743 5.10  LDD2083 
Histone-lysine N-methyltransferase 2A (KMT2A) LDTP05396 7.94  LDD2083 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 5.21  LDD2083 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 5.03  LDD2083 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 7.89  LDD2083 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 10.93  LDD2083 
Lysosomal protective protein (CTSA) LDTP02505 5.06  LDD2083 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 5.17  LDD2083 
N-alpha-acetyltransferase 40 (NAA40) LDTP08265 6.96  LDD2083 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 6.28  LDD2083 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 5.50  LDD2083 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 5.03  LDD2083 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 5.24  LDD2083 
Prostaglandin reductase 3 (PTGR3) LDTP15422 7.62  LDD2083 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 8.63  LDD2083 
Proteasome subunit beta type-5 (PSMB5) LDTP03419 4.96  LDD2083 
Proteasome subunit beta type-6 (PSMB6) LDTP03418 5.78  LDD2083 
Protein farnesyltransferase subunit beta (FNTB) LDTP04247 6.11  LDD2083 
Protein O-GlcNAcase (OGA) LDTP00988 7.57  LDD2083 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 5.10  LDD2083 
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (PDE6D) LDTP00907 5.82  LDD2083 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 6.68  LDD2083 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 9.85  LDD2083 
Thioredoxin domain-containing protein 12 (TXNDC12) LDTP01707 5.10  LDD2083 
V-type proton ATPase 116 kDa subunit a 2 (ATP6V0A2) LDTP14030 6.06  LDD2083 
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⏷ Show the Full List of 36 Enzyme
23 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Hippocampus abundant transcript-like protein 1 (MFSD14B) LDTP07063 5.31  LDD2083 
Importin subunit alpha-3 (KPNA4) LDTP00328 5.90  LDD2083 
Importin subunit alpha-4 (KPNA3) LDTP00298 7.06  LDD2083 
Importin subunit alpha-5 (KPNA1) LDTP04502 5.86  LDD2083 
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 5.03  LDD2083 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 8.63  LDD2083 
Major facilitator superfamily domain-containing protein 8 (MFSD8) LDTP09261 8.40  LDD2083 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 5.43  LDD2083 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 16.11  LDD2083 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 16.00  LDD2083 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 12.73  LDD2083 
Monocarboxylate transporter 1 (SLC16A1) LDTP04592 7.84  LDD2083 
Mpv17-like protein 2 (MPV17L2) LDTP14952 8.06  LDD2083 
Protein GPR107 (GPR107) LDTP07236 4.92  LDD2083 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 6.59  LDD2083 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 11.00  LDD2083 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 5.17  LDD2083 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.46  LDD2083 
Translocator protein (TSPO) LDTP03546 34.78  LDD2083 
Transmembrane protein 126A (TMEM126A) LDTP15948 5.66  LDD2083 
Transmembrane protein 199 (TMEM199) LDTP08881 5.17  LDD2083 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 11.00  LDD2083 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 8.63  LDD2083 
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⏷ Show the Full List of 23 Transporter and channel
13 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 8.11  LDD2083 
Clustered mitochondria protein homolog (CLUH) LDTP14486 16.22  LDD2083 
Dynactin subunit 3 (DCTN3) LDTP01359 5.31  LDD2083 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 18.13  LDD2083 
Large proline-rich protein BAG6 (BAG6) LDTP04094 5.78  LDD2083 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 18.90  LDD2083 
Neudesin (NENF) LDTP13630 6.50  LDD2083 
Nucleobindin-2 (NUCB2) LDTP05160 5.21  LDD2083 
Phosphatidylethanolamine-binding protein 1 (PEBP1) LDTP03520 22.78  LDD2083 
Protein CutA (CUTA) LDTP01075 6.92  LDD2083 
Protein unc-119 homolog B (UNC119B) LDTP00105 20.68  LDD2083 
RNA-binding protein FXR1 (FXR1) LDTP04395 5.21  LDD2083 
TATA-binding protein-associated factor 2N (TAF15) LDTP09881 5.10  LDD2083 
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⏷ Show the Full List of 13 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
 LDD2083 
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