Details of the Probe

General Information of Probe

Probe ID
LDPC0568
Probe Name
C347
Synonyms
Z4286591731
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 342.4
Lipid-water partition coefficient (xlogp) 1.8
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C16H18N6OS
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[4-methyl-2-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]acetamide
Canonical SMILES
CC1=C(SC(=N1)C2=CC=NN2)CC(=O)NCCC3(N=N3)CCC#C
InChI
InChI=1S/C16H18N6OS/c1-3-4-6-16(21-22-16)7-9-17-14(23)10-13-11(2)19-15(24-13)12-5-8-18-20-12/h1,5,8H,4,6-7,9-10H2,2H3,(H,17,23)(H,18,20)
InChIKey
ANRNAGSHXSKQPK-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

37 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5-hydroxymethyl-dUMP N-hydrolase (DNPH1) LDTP00813 5.74  LDD2008 
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 10.63  LDD2008 
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 5.31  LDD2008 
Adenosine 5'-monophosphoramidase HINT3 (HINT3) LDTP12415 6.11  LDD2008 
Adenosine deaminase (ADA) LDTP01803 13.64  LDD2008 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 5.70  LDD2008 
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (PAICS) LDTP03159 8.51  LDD2008 
Choline kinase alpha (CHKA) LDTP03787 4.99  LDD2008 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 8.51  LDD2008 
Delta(24)-sterol reductase (DHCR24) LDTP06375 5.06  LDD2008 
Dihydrofolate reductase (DHFR) LDTP01769 11.31  LDD2008 
DNA polymerase alpha subunit B (POLA2) LDTP06069 5.46  LDD2008 
DNA replication licensing factor MCM4 (MCM4) LDTP03680 5.28  LDD2008 
E3 ubiquitin-protein ligase TRIM21 (TRIM21) LDTP03001 6.15  LDD2008 
Endoplasmic reticulum aminopeptidase 1 (ERAP1) LDTP12868 5.17  LDD2008 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 5.03  LDD2008 
Epoxide hydrolase 1 (EPHX1) LDTP02175 5.43  LDD2008 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 6.63  LDD2008 
Heme oxygenase 1 (HMOX1) LDTP02359 5.13  LDD2008 
Heme oxygenase 2 (HMOX2) LDTP03540 10.34  LDD2008 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 5.28  LDD2008 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 8.11  LDD2008 
Methylmalonyl-CoA mutase, mitochondrial (MMUT) LDTP03150 5.62  LDD2008 
N-alpha-acetyltransferase 40 (NAA40) LDTP08265 9.06  LDD2008 
Phospholipase A2 group XV (PLA2G15) LDTP09088 5.94  LDD2008 
Prostaglandin reductase 1 (PTGR1) LDTP06227 6.06  LDD2008 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 6.23  LDD2008 
Pseudouridylate synthase 7 homolog (PUS7) LDTP10709 5.54  LDD2008 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 9.85  LDD2008 
Receptor-interacting serine/threonine-protein kinase 1 (RIPK1) LDTP05917 6.54  LDD2008 
Retinal dehydrogenase 2 (ALDH1A2) LDTP01419 5.03  LDD2008 
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (PDE6D) LDTP00907 10.20  LDD2008 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 5.74  LDD2008 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 12.38  LDD2008 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 23.92  LDD2008 
Squalene synthase (FDFT1) LDTP03842 5.43  LDD2008 
Unconventional myosin-XVIIIa (MYO18A) LDTP09819 5.94  LDD2008 
------------------------------------------------------------------------------------
⏷ Show the Full List of 37 Enzyme
18 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Complement component 1 Q subcomponent-binding protein, mitochondrial (C1QBP) LDTP05510 4.99  LDD2008 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 10.13  LDD2008 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 6.82  LDD2008 
Major facilitator superfamily domain-containing protein 10 (MFSD10) LDTP06198 5.35  LDD2008 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 5.28  LDD2008 
Metaxin-1 (MTX1) LDTP05900 5.10  LDD2008 
Metaxin-3 (MTX3) LDTP14970 16.34  LDD2008 
MFS-type transporter SLC18B1 (SLC18B1) LDTP07462 7.06  LDD2008 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 11.24  LDD2008 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 7.57  LDD2008 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 8.63  LDD2008 
Mpv17-like protein 2 (MPV17L2) LDTP14952 22.32  LDD2008 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 7.67  LDD2008 
Protein GPR108 (GPR108) LDTP12383 6.96  LDD2008 
Reduced folate transporter (SLC19A1) LDTP03952 5.54  LDD2008 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 6.32  LDD2008 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 5.28  LDD2008 
Transmembrane protein 205 (TMEM205) LDTP07667 6.87  LDD2008 
------------------------------------------------------------------------------------
⏷ Show the Full List of 18 Transporter and channel
2 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Y-box-binding protein 1 (YBX1) LDTP05065 5.10  LDD2008 
Y-box-binding protein 3 (YBX3) LDTP02870 5.21  LDD2008 
------------------------------------------------------------------------------------
1 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Basigin (BSG) LDTP03772 4.99  LDD2008 
------------------------------------------------------------------------------------
42 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Adapter molecule crk (CRK) LDTP04091 5.46  LDD2008 
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 5.94  LDD2008 
CD2 antigen cytoplasmic tail-binding protein 2 (CD2BP2) LDTP01589 5.21  LDD2008 
Centrosomal protein 43 (CEP43) LDTP01652 6.87  LDD2008 
Coiled-coil domain-containing protein 97 (CCDC97) LDTP19860 5.13  LDD2008 
Cold-inducible RNA-binding protein (CIRBP) LDTP06022 5.17  LDD2008 
Dynactin subunit 3 (DCTN3) LDTP01359 5.74  LDD2008 
ER lumen protein-retaining receptor 3 (KDELR3) LDTP00850 8.57  LDD2008 
Eukaryotic translation initiation factor 5 (EIF5) LDTP04652 5.62  LDD2008 
Heme-binding protein 1 (HEBP1) LDTP16078 11.55  LDD2008 
Heterogeneous nuclear ribonucleoprotein F (HNRNPF) LDTP04514 5.06  LDD2008 
Heterogeneous nuclear ribonucleoprotein H (HNRNPH1) LDTP03615 5.03  LDD2008 
Keratin, type I cytoskeletal 18 (KRT18) LDTP02124 6.96  LDD2008 
Large ribosomal subunit protein mL55 (MRPL55) LDTP15269 14.03  LDD2008 
Large ribosomal subunit protein mL64 (GADD45GIP1) LDTP09297 5.24  LDD2008 
Mdm2-binding protein (MTBP) LDTP15714 7.41  LDD2008 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 8.82  LDD2008 
Neudesin (NENF) LDTP13630 14.83  LDD2008 
Neuferricin (CYB5D2) LDTP15623 26.54  LDD2008 
Neurofilament light polypeptide (NEFL) LDTP02180 5.43  LDD2008 
Nucleobindin-1 (NUCB1) LDTP05375 6.02  LDD2008 
Nucleobindin-2 (NUCB2) LDTP05160 5.17  LDD2008 
Nucleosome assembly protein 1-like 1 (NAP1L1) LDTP04684 5.54  LDD2008 
Nucleosome assembly protein 1-like 4 (NAP1L4) LDTP10965 5.94  LDD2008 
Pre-mRNA-splicing factor SPF27 (BCAS2) LDTP01358 8.40  LDD2008 
Protein CutA (CUTA) LDTP01075 5.31  LDD2008 
Protein unc-119 homolog B (UNC119B) LDTP00105 5.03  LDD2008 
Rap guanine nucleotide exchange factor 2 (RAPGEF2) LDTP14058 6.63  LDD2008 
Rap guanine nucleotide exchange factor 6 (RAPGEF6) LDTP09509 8.75  LDD2008 
Reticulocalbin-2 (RCN2) LDTP06097 6.73  LDD2008 
RNA-binding protein 3 (RBM3) LDTP05226 6.50  LDD2008 
RNA-binding protein 47 (RBM47) LDTP00009 5.24  LDD2008 
Spectrin beta chain, non-erythrocytic 2 (SPTBN2) LDTP00510 5.03  LDD2008 
Splicing factor 3B subunit 5 (SF3B5) LDTP11328 9.25  LDD2008 
T-complex protein 1 subunit beta (CCT2) LDTP05113 5.58  LDD2008 
TATA-binding protein-associated factor 2N (TAF15) LDTP09881 6.32  LDD2008 
TBC1 domain family member 9B (TBC1D9B) LDTP15057 11.31  LDD2008 
Testis-expressed protein 264 (TEX264) LDTP14259 6.92  LDD2008 
Tropomyosin alpha-1 chain (TPM1) LDTP02351 5.50  LDD2008 
Vimentin (VIM) LDTP02297 6.68  LDD2008 
Zinc finger CCHC domain-containing protein 3 (ZCCHC3) LDTP12623 5.10  LDD2008 
Zinc finger protein ZPR1 (ZPR1) LDTP01171 9.58  LDD2008 
------------------------------------------------------------------------------------
⏷ Show the Full List of 42 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
 LDD2008 
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