Details of the Probe

General Information of Probe

Probe ID
LDPC0564
Probe Name
C342
Synonyms
Z4282860251
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 377.4
Lipid-water partition coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C18H20FN3O3S
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one
Canonical SMILES
C#CCCC1(N=N1)CCC(=O)N2CCC(C2)S(=O)(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H20FN3O3S/c1-2-3-10-18(20-21-18)11-8-17(23)22-12-9-16(13-22)26(24,25)15-6-4-14(19)5-7-15/h1,4-7,16H,3,8-13H2
InChIKey
ZHTLQKKMGAHLBQ-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

40 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 42.81  LDD2004 
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 6.15  LDD2004 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 27.86  LDD2004 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 6.02  LDD2004 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 5.06  LDD2004 
Cytochrome b5 type B (CYB5B) LDTP00697 5.70  LDD2004 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 26.17  LDD2004 
Delta(14)-sterol reductase LBR (LBR) LDTP06200 8.57  LDD2004 
Delta(24)-sterol reductase (DHCR24) LDTP06375 12.38  LDD2004 
Dihydrofolate reductase (DHFR) LDTP01769 7.01  LDD2004 
E3 ubiquitin-protein ligase TRIM21 (TRIM21) LDTP03001 5.54  LDD2004 
Glutathione S-transferase A4 (GSTA4) LDTP00575 34.54  LDD2004 
Heme oxygenase 1 (HMOX1) LDTP02359 6.06  LDD2004 
Heme oxygenase 2 (HMOX2) LDTP03540 13.27  LDD2004 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 5.06  LDD2004 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 9.51  LDD2004 
Lanosterol synthase (LSS) LDTP04183 5.28  LDD2004 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 12.30  LDD2004 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 14.12  LDD2004 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 10.48  LDD2004 
N-alpha-acetyltransferase 40 (NAA40) LDTP08265 5.98  LDD2004 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 14.93  LDD2004 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 21.41  LDD2004 
Obg-like ATPase 1 (OLA1) LDTP12610 7.94  LDD2004 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 6.82  LDD2004 
Peptidyl-prolyl cis-trans isomerase FKBP10 (FKBP10) LDTP10101 9.85  LDD2004 
Peptidyl-prolyl cis-trans isomerase FKBP1A (FKBP1A) LDTP05029 99.73  LDD2004 
Peptidyl-prolyl cis-trans isomerase FKBP2 (FKBP2) LDTP03374 7.84  LDD2004 
Pirin (PIR) LDTP00325 7.57  LDD2004 
Prolyl 3-hydroxylase 1 (P3H1) LDTP06750 7.57  LDD2004 
Prostaglandin reductase 3 (PTGR3) LDTP15422 20.68  LDD2004 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 5.94  LDD2004 
Proteasome subunit beta type-6 (PSMB6) LDTP03418 5.78  LDD2004 
Protein O-GlcNAcase (OGA) LDTP00988 6.63  LDD2004 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 5.98  LDD2004 
Pseudouridylate synthase 7 homolog (PUS7) LDTP10709 14.62  LDD2004 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 5.03  LDD2004 
Signal peptide peptidase-like 2A (SPPL2A) LDTP09395 5.39  LDD2004 
Squalene synthase (FDFT1) LDTP03842 18.51  LDD2004 
Ubiquitin thioesterase OTUB1 (OTUB1) LDTP10318 6.87  LDD2004 
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⏷ Show the Full List of 40 Enzyme
23 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP synthase subunit a (MT-ATP6) LDTP01804 9.06  LDD2004 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 5.98  LDD2004 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 8.28  LDD2004 
MFS-type transporter SLC18B1 (SLC18B1) LDTP07462 6.50  LDD2004 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 6.82  LDD2004 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 7.73  LDD2004 
Mitochondrial ornithine transporter 1 (SLC25A15) LDTP14200 7.36  LDD2004 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 8.57  LDD2004 
Mpv17-like protein 2 (MPV17L2) LDTP14952 8.40  LDD2004 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 11.08  LDD2004 
Protein GPR107 (GPR107) LDTP07236 4.96  LDD2004 
Protein GPR108 (GPR108) LDTP12383 7.26  LDD2004 
Reduced folate transporter (SLC19A1) LDTP03952 6.02  LDD2004 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 12.13  LDD2004 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 10.20  LDD2004 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 5.43  LDD2004 
Solute carrier family 25 member 33 (SLC25A33) LDTP11162 5.50  LDD2004 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.43  LDD2004 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 5.17  LDD2004 
Transmembrane protein 160 (TMEM160) LDTP20002 4.92  LDD2004 
Transmembrane protein 87A (TMEM87A) LDTP15481 5.66  LDD2004 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 5.62  LDD2004 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 5.46  LDD2004 
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⏷ Show the Full List of 23 Transporter and channel
19 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 5.43  LDD2004 
Clustered mitochondria protein homolog (CLUH) LDTP14486 7.94  LDD2004 
CYFIP-related Rac1 interactor B (CYRIB) LDTP12642 5.78  LDD2004 
Dymeclin (DYM) LDTP08000 8.46  LDD2004 
ER lumen protein-retaining receptor 3 (KDELR3) LDTP00850 9.92  LDD2004 
Large ribosomal subunit protein mL55 (MRPL55) LDTP15269 6.87  LDD2004 
Mdm2-binding protein (MTBP) LDTP15714 7.89  LDD2004 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 11.08  LDD2004 
Mitochondrial intermembrane space import and assembly protein 40 (CHCHD4) LDTP08874 6.32  LDD2004 
Neudesin (NENF) LDTP13630 7.46  LDD2004 
Nucleobindin-1 (NUCB1) LDTP05375 5.28  LDD2004 
Nucleobindin-2 (NUCB2) LDTP05160 6.77  LDD2004 
Phosphatidylethanolamine-binding protein 1 (PEBP1) LDTP03520 6.28  LDD2004 
Protein CutA (CUTA) LDTP01075 8.94  LDD2004 
Protein unc-119 homolog B (UNC119B) LDTP00105 9.13  LDD2004 
Rab9 effector protein with kelch motifs (RABEPK) LDTP08130 5.10  LDD2004 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 6.54  LDD2004 
UBX domain-containing protein 7 (UBXN7) LDTP01451 9.85  LDD2004 
Zinc finger CCHC domain-containing protein 3 (ZCCHC3) LDTP12623 5.03  LDD2004 
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⏷ Show the Full List of 19 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
 LDD2004 
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