Details of the Probe

General Information of Probe

Probe ID
LDPC0491
Probe Name
C258
Synonyms
AKOS034064094;Z2866906646
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 292.28
Lipid-water partition coefficient (xlogp) 1.8
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C14H14F2N4O
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-[6-(difluoromethyl)pyridin-3-yl]propanamide
Canonical SMILES
C#CCCC1(N=N1)CCC(=O)NC2=CN=C(C=C2)C(F)F
InChI
InChI=1S/C14H14F2N4O/c1-2-3-7-14(19-20-14)8-6-12(21)18-10-4-5-11(13(15)16)17-9-10/h1,4-5,9,13H,3,6-8H2,(H,18,21)
InChIKey
UEROJXHERBLWKU-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

42 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 5.62  LDD1931 
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 9.51  LDD1931 
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 5.13  LDD1931 
Alkyldihydroxyacetonephosphate synthase, peroxisomal (AGPS) LDTP00186 5.98  LDD1931 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 8.75  LDD1931 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 7.78  LDD1931 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 6.50  LDD1931 
Cytochrome b5 type B (CYB5B) LDTP00697 9.00  LDD1931 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 7.11  LDD1931 
Delta(24)-sterol reductase (DHCR24) LDTP06375 7.01  LDD1931 
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1) LDTP05724 6.11  LDD1931 
Dihydrolipoyl dehydrogenase, mitochondrial (DLD) LDTP02362 6.59  LDD1931 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 10.13  LDD1931 
Endonuclease domain-containing 1 protein (ENDOD1) LDTP01462 5.31  LDD1931 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 5.35  LDD1931 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 5.17  LDD1931 
Exonuclease 1 (EXO1) LDTP13751 5.24  LDD1931 
Glycerol-3-phosphate acyltransferase 1, mitochondrial (GPAM) LDTP12253 10.93  LDD1931 
Heme oxygenase 2 (HMOX2) LDTP03540 19.70  LDD1931 
Inactive hydroxysteroid dehydrogenase-like protein 1 (HSDL1) LDTP06787 5.50  LDD1931 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 5.66  LDD1931 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 11.79  LDD1931 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 7.11  LDD1931 
Lanosterol synthase (LSS) LDTP04183 5.46  LDD1931 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 9.00  LDD1931 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 10.41  LDD1931 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 10.27  LDD1931 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 9.06  LDD1931 
NAD(P)H-hydrate epimerase (NAXE) LDTP09110 6.19  LDD1931 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 9.32  LDD1931 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 6.36  LDD1931 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 5.17  LDD1931 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 11.88  LDD1931 
Prostaglandin reductase 2 (PTGR2) LDTP08979 5.82  LDD1931 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 5.13  LDD1931 
Proteasome subunit beta type-5 (PSMB5) LDTP03419 6.02  LDD1931 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 5.35  LDD1931 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 5.74  LDD1931 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 6.02  LDD1931 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 5.17  LDD1931 
S-adenosylhomocysteine hydrolase-like protein 1 (AHCYL1) LDTP00890 5.21  LDD1931 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 8.94  LDD1931 
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⏷ Show the Full List of 42 Enzyme
29 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Adenosine 3'-phospho 5'-phosphosulfate transporter 1 (SLC35B2) LDTP09328 5.43  LDD1931 
ATP synthase subunit a (MT-ATP6) LDTP01804 11.55  LDD1931 
BRI3-binding protein (BRI3BP) LDTP15648 5.46  LDD1931 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 11.08  LDD1931 
Lysosome membrane protein 2 (SCARB2) LDTP06034 8.28  LDD1931 
Metaxin-1 (MTX1) LDTP05900 6.45  LDD1931 
MFS-type transporter SLC18B1 (SLC18B1) LDTP07462 7.01  LDD1931 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 5.10  LDD1931 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 43.11  LDD1931 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 18.90  LDD1931 
Mitochondrial import inner membrane translocase subunit Tim22 (TIMM22) LDTP14099 5.24  LDD1931 
Mpv17-like protein 2 (MPV17L2) LDTP14952 6.63  LDD1931 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 8.28  LDD1931 
Prosaposin (PSAP) LDTP02215 5.66  LDD1931 
Protein GPR107 (GPR107) LDTP07236 9.06  LDD1931 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 7.62  LDD1931 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 8.17  LDD1931 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 7.67  LDD1931 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 7.67  LDD1931 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 6.59  LDD1931 
StAR-related lipid transfer protein 3 (STARD3) LDTP06221 7.67  LDD1931 
Tetraspanin-3 (TSPAN3) LDTP16813 6.77  LDD1931 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 6.19  LDD1931 
Translocator protein (TSPO) LDTP03546 5.58  LDD1931 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 8.94  LDD1931 
Transmembrane protein 199 (TMEM199) LDTP08881 5.35  LDD1931 
Transmembrane protein 87A (TMEM87A) LDTP15481 6.06  LDD1931 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 8.28  LDD1931 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 11.31  LDD1931 
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⏷ Show the Full List of 29 Transporter and channel
18 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 9.25  LDD1931 
Arfaptin-1 (ARFIP1) LDTP04558 5.50  LDD1931 
Centrosomal protein 43 (CEP43) LDTP01652 5.62  LDD1931 
Dymeclin (DYM) LDTP08000 5.17  LDD1931 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 5.39  LDD1931 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 10.48  LDD1931 
HAUS augmin-like complex subunit 5 (HAUS5) LDTP01466 8.22  LDD1931 
HEAT repeat-containing protein 3 (HEATR3) LDTP15253 5.70  LDD1931 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 19.97  LDD1931 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 7.21  LDD1931 
Neuferricin (CYB5D2) LDTP15623 8.75  LDD1931 
Protein FAM114A2 (FAM114A2) LDTP16080 7.01  LDD1931 
Protein FAM162A (FAM162A) LDTP10056 5.35  LDD1931 
Protein unc-119 homolog B (UNC119B) LDTP00105 7.36  LDD1931 
Reticulon-3 (RTN3) LDTP01522 7.26  LDD1931 
Reticulon-4 (RTN4) LDTP12412 5.06  LDD1931 
Syntaxin-18 (STX18) LDTP13086 5.35  LDD1931 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 14.72  LDD1931 
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⏷ Show the Full List of 18 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
 LDD1931 
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