Details of the Probe

General Information of Probe

Probe ID
LDPC0276
Probe Name
C007
Synonyms
Z3426154547
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 344.36
Lipid-water partition coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C14H15F3N4OS
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propanamide
Canonical SMILES
CC(C1=CN=C(S1)C(F)(F)F)NC(=O)CCC2(N=N2)CCC#C
InChI
InChI=1S/C14H15F3N4OS/c1-3-4-6-13(20-21-13)7-5-11(22)19-9(2)10-8-18-12(23-10)14(15,16)17/h1,8-9H,4-7H2,2H3,(H,19,22)
InChIKey
ANRPNZCNKYUNRU-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

41 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 5.10  LDD1716 
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 17.88  LDD1716 
Acyl-coenzyme A diphosphatase NUDT19 (NUDT19) LDTP00150 7.52  LDD1716 
Aldehyde dehydrogenase family 3 member A2 (ALDH3A2) LDTP04437 5.39  LDD1716 
Antigen peptide transporter 1 (TAP1) LDTP05408 5.10  LDD1716 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 16.00  LDD1716 
ATP-dependent RNA helicase DHX29 (DHX29) LDTP08064 6.02  LDD1716 
Beta-galactosidase (GLB1) LDTP02837 8.22  LDD1716 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 5.31  LDD1716 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 6.32  LDD1716 
Ceramide synthase 2 (CERS2) LDTP10329 6.45  LDD1716 
Cytochrome b-c1 complex subunit 8 (UQCRQ) LDTP00486 5.28  LDD1716 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 4.96  LDD1716 
Cytochrome b5 type B (CYB5B) LDTP00697 13.83  LDD1716 
DCN1-like protein 4 (DCUN1D4) LDTP09799 7.62  LDD1716 
Delta(24)-sterol reductase (DHCR24) LDTP06375 18.38  LDD1716 
Dihydrofolate reductase (DHFR) LDTP01769 7.06  LDD1716 
Epoxide hydrolase 1 (EPHX1) LDTP02175 11.55  LDD1716 
Exonuclease 1 (EXO1) LDTP13751 5.82  LDD1716 
Heme oxygenase 1 (HMOX1) LDTP02359 11.63  LDD1716 
Heme oxygenase 2 (HMOX2) LDTP03540 23.10  LDD1716 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 8.06  LDD1716 
Lysosomal acid glucosylceramidase (GBA1) LDTP02005 6.06  LDD1716 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 7.46  LDD1716 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 10.06  LDD1716 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 5.66  LDD1716 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 6.92  LDD1716 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 5.43  LDD1716 
Phospholipase A2 group XV (PLA2G15) LDTP09088 5.17  LDD1716 
Probable ATP-dependent RNA helicase DDX31 (DDX31) LDTP12055 8.28  LDD1716 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 7.46  LDD1716 
Prostaglandin reductase 3 (PTGR3) LDTP15422 11.79  LDD1716 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 6.77  LDD1716 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 6.73  LDD1716 
Ribosomal protein S6 kinase alpha-3 (RPS6KA3) LDTP04471 11.39  LDD1716 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 5.28  LDD1716 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 15.45  LDD1716 
SET domain-containing protein 4 (SETD4) LDTP12670 6.50  LDD1716 
Signal peptidase complex catalytic subunit SEC11A (SEC11A) LDTP05066 8.28  LDD1716 
Sphingosine-1-phosphate lyase 1 (SGPL1) LDTP01613 6.23  LDD1716 
V-type proton ATPase 116 kDa subunit a 2 (ATP6V0A2) LDTP14030 4.92  LDD1716 
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⏷ Show the Full List of 41 Enzyme
28 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 8.06  LDD1716 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 8.51  LDD1716 
BRI3-binding protein (BRI3BP) LDTP15648 5.35  LDD1716 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 15.35  LDD1716 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 18.13  LDD1716 
Lysosome membrane protein 2 (SCARB2) LDTP06034 11.08  LDD1716 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 6.63  LDD1716 
Metaxin-1 (MTX1) LDTP05900 5.62  LDD1716 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 7.16  LDD1716 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 6.68  LDD1716 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 9.13  LDD1716 
Mitochondrial import inner membrane translocase subunit Tim22 (TIMM22) LDTP14099 6.36  LDD1716 
Prosaposin (PSAP) LDTP02215 5.50  LDD1716 
Protein GPR107 (GPR107) LDTP07236 7.46  LDD1716 
Protein GPR108 (GPR108) LDTP12383 6.59  LDD1716 
Protein tweety homolog 3 (TTYH3) LDTP11615 7.57  LDD1716 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 5.82  LDD1716 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 9.06  LDD1716 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 10.41  LDD1716 
StAR-related lipid transfer protein 3 (STARD3) LDTP06221 7.73  LDD1716 
Tetraspanin-3 (TSPAN3) LDTP16813 9.38  LDD1716 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 4.99  LDD1716 
Translocator protein (TSPO) LDTP03546 13.00  LDD1716 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 9.25  LDD1716 
Transmembrane protein 126A (TMEM126A) LDTP15948 9.45  LDD1716 
Transmembrane protein 199 (TMEM199) LDTP08881 9.06  LDD1716 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 11.08  LDD1716 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 13.00  LDD1716 
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⏷ Show the Full List of 28 Transporter and channel
28 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 12.21  LDD1716 
Bcl-2-like protein 13 (BCL2L13) LDTP11389 5.70  LDD1716 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 4.92  LDD1716 
Centrin-2 (CETN2) LDTP03926 6.19  LDD1716 
Clustered mitochondria protein homolog (CLUH) LDTP14486 6.45  LDD1716 
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 5.62  LDD1716 
DNA repair protein XRCC4 (XRCC4) LDTP05865 11.08  LDD1716 
DNA replication complex GINS protein PSF2 (GINS2) LDTP13802 7.94  LDD1716 
EF-hand calcium-binding domain-containing protein 14 (EFCAB14) LDTP19021 4.96  LDD1716 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 5.13  LDD1716 
ER lumen protein-retaining receptor 3 (KDELR3) LDTP00850 6.45  LDD1716 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 10.78  LDD1716 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 8.46  LDD1716 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 18.38  LDD1716 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 9.25  LDD1716 
Neuferricin (CYB5D2) LDTP15623 6.19  LDD1716 
Nucleobindin-1 (NUCB1) LDTP05375 8.28  LDD1716 
Nucleobindin-2 (NUCB2) LDTP05160 30.06  LDD1716 
Poly(U)-binding-splicing factor PUF60 (PUF60) LDTP13311 17.15  LDD1716 
Protein FAM114A2 (FAM114A2) LDTP16080 6.19  LDD1716 
Protein FAM162A (FAM162A) LDTP10056 5.06  LDD1716 
Protein LYRIC (MTDH) LDTP08224 5.94  LDD1716 
Protein unc-119 homolog B (UNC119B) LDTP00105 12.21  LDD1716 
Reticulon-3 (RTN3) LDTP01522 7.89  LDD1716 
Splicing factor 3B subunit 4 (SF3B4) LDTP06386 4.96  LDD1716 
Tetraspanin-6 (TSPAN6) LDTP14458 7.06  LDD1716 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 13.55  LDD1716 
Ubiquitin-like protein 4A (UBL4A) LDTP02570 5.39  LDD1716 
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⏷ Show the Full List of 28 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
 LDD1716 
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