Details of the Probe

General Information of Probe

Probe ID
LDPC0560
Probe Name
C337
Synonyms
Z3426210900
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 312.4
Lipid-water partition coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C18H24N4O
IUPAC Name
4-but-3-enyl-1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidine-4-carbonitrile
Canonical SMILES
C=CCCC1(CCN(CC1)C(=O)CCC2(N=N2)CCC#C)C#N
InChI
InChI=1S/C18H24N4O/c1-3-5-8-17(15-19)11-13-22(14-12-17)16(23)7-10-18(20-21-18)9-6-4-2/h2-3H,1,5-14H2
InChIKey
NFSMRPXBKQJKTC-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

17 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 6.19  LDD2000 
Beta-galactosidase (GLB1) LDTP02837 5.10  LDD2000 
Cytochrome b5 type B (CYB5B) LDTP00697 6.96  LDD2000 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 17.15  LDD2000 
Histone-lysine N-methyltransferase 2A (KMT2A) LDTP05396 4.92  LDD2000 
Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial (HADH) LDTP06645 5.74  LDD2000 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 5.98  LDD2000 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 9.13  LDD2000 
Lysine-specific histone demethylase 2 (KDM1B) LDTP09043 5.74  LDD2000 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 4.92  LDD2000 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 6.63  LDD2000 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 14.52  LDD2000 
Obg-like ATPase 1 (OLA1) LDTP12610 4.96  LDD2000 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 5.35  LDD2000 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 5.17  LDD2000 
Prostaglandin reductase 3 (PTGR3) LDTP15422 6.50  LDD2000 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 6.15  LDD2000 
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⏷ Show the Full List of 17 Enzyme
13 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 10.78  LDD2000 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 5.94  LDD2000 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 11.31  LDD2000 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 21.11  LDD2000 
Mpv17-like protein 2 (MPV17L2) LDTP14952 7.73  LDD2000 
Protein tweety homolog 3 (TTYH3) LDTP11615 4.99  LDD2000 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 5.06  LDD2000 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 6.19  LDD2000 
StAR-related lipid transfer protein 3 (STARD3) LDTP06221 6.36  LDD2000 
Transportin-1 (TNPO1) LDTP09949 5.24  LDD2000 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 5.28  LDD2000 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 11.79  LDD2000 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 9.13  LDD2000 
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⏷ Show the Full List of 13 Transporter and channel
10 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 9.45  LDD2000 
Clustered mitochondria protein homolog (CLUH) LDTP14486 5.10  LDD2000 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 15.67  LDD2000 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 15.35  LDD2000 
Large ribosomal subunit protein mL64 (GADD45GIP1) LDTP09297 4.96  LDD2000 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 6.77  LDD2000 
Phosphatidylethanolamine-binding protein 1 (PEBP1) LDTP03520 10.93  LDD2000 
Protein CutA (CUTA) LDTP01075 7.84  LDD2000 
Protein unc-119 homolog B (UNC119B) LDTP00105 5.54  LDD2000 
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 5.66  LDD2000 
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⏷ Show the Full List of 10 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
 LDD2000 
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