Details of the Probe

General Information of Probe

Probe ID
LDPC0423
Probe Name
C185
Synonyms
Z4225948630
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 361.4
Lipid-water partition coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C17H19N3O4S
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(4,4-dioxo-2,3-dihydro-1,4lambda6-benzoxathiin-2-yl)acetamide
Canonical SMILES
C#CCCC1(N=N1)CCNC(=O)CC2CS(=O)(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C17H19N3O4S/c1-2-3-8-17(19-20-17)9-10-18-16(21)11-13-12-25(22,23)15-7-5-4-6-14(15)24-13/h1,4-7,13H,3,8-12H2,(H,18,21)
InChIKey
MUGQUYBENGAMHQ-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

36 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (EBP) LDTP06325 6.92  LDD1863 
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 6.59  LDD1863 
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 6.77  LDD1863 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 6.87  LDD1863 
Beta-1,4-glucuronyltransferase 1 (B4GAT1) LDTP00783 6.36  LDD1863 
Cytochrome b5 type B (CYB5B) LDTP00697 5.39  LDD1863 
Dehydrogenase/reductase SDR family member 1 (DHRS1) LDTP10550 6.23  LDD1863 
Delta(24)-sterol reductase (DHCR24) LDTP06375 13.55  LDD1863 
Diacylglycerol lipase-beta (DAGLB) LDTP09095 6.87  LDD1863 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 5.17  LDD1863 
Epimerase family protein SDR39U1 (SDR39U1) LDTP16070 6.63  LDD1863 
Epoxide hydrolase 1 (EPHX1) LDTP02175 7.46  LDD1863 
Exonuclease 1 (EXO1) LDTP13751 6.59  LDD1863 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 5.13  LDD1863 
GMP synthase [glutamine-hydrolyzing] (GMPS) LDTP04333 9.00  LDD1863 
Heme oxygenase 1 (HMOX1) LDTP02359 5.86  LDD1863 
Heme oxygenase 2 (HMOX2) LDTP03540 8.28  LDD1863 
Lanosterol synthase (LSS) LDTP04183 6.11  LDD1863 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 20.39  LDD1863 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.31  LDD1863 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 8.40  LDD1863 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 5.78  LDD1863 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 5.50  LDD1863 
Phenylalanine--tRNA ligase beta subunit (FARSB) LDTP12586 5.74  LDD1863 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 6.32  LDD1863 
Prostaglandin reductase 1 (PTGR1) LDTP06227 12.64  LDD1863 
Prostaglandin reductase 3 (PTGR3) LDTP15422 13.45  LDD1863 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 8.40  LDD1863 
Protein O-GlcNAcase (OGA) LDTP00988 7.36  LDD1863 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 27.28  LDD1863 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 13.55  LDD1863 
Reticulon-4-interacting protein 1, mitochondrial (RTN4IP1) LDTP09666 5.28  LDD1863 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 8.69  LDD1863 
Signal peptide peptidase-like 2A (SPPL2A) LDTP09395 7.57  LDD1863 
V-type proton ATPase 116 kDa subunit a 2 (ATP6V0A2) LDTP14030 4.96  LDD1863 
Xaa-Pro aminopeptidase 3 (XPNPEP3) LDTP12420 9.13  LDD1863 
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⏷ Show the Full List of 36 Enzyme
15 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 20.97  LDD1863 
ER membrane protein complex subunit 5 (MMGT1) LDTP08878 8.63  LDD1863 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 6.92  LDD1863 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 8.17  LDD1863 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 10.06  LDD1863 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 8.28  LDD1863 
Mpv17-like protein 2 (MPV17L2) LDTP14952 4.92  LDD1863 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 6.96  LDD1863 
Protein GPR107 (GPR107) LDTP07236 7.78  LDD1863 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 21.26  LDD1863 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 9.99  LDD1863 
StAR-related lipid transfer protein 7, mitochondrial (STARD7) LDTP18459 19.84  LDD1863 
Transmembrane protein 126A (TMEM126A) LDTP15948 12.64  LDD1863 
Transmembrane protein 199 (TMEM199) LDTP08881 6.23  LDD1863 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 6.82  LDD1863 
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⏷ Show the Full List of 15 Transporter and channel
15 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Centrosomal protein 43 (CEP43) LDTP01652 6.68  LDD1863 
Clustered mitochondria protein homolog (CLUH) LDTP14486 13.74  LDD1863 
DnaJ homolog subfamily C member 16 (DNAJC16) LDTP13863 5.90  LDD1863 
Dymeclin (DYM) LDTP08000 7.11  LDD1863 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 5.10  LDD1863 
ER lumen protein-retaining receptor 3 (KDELR3) LDTP00850 7.11  LDD1863 
Kinetochore-associated protein 1 (KNTC1) LDTP04382 12.64  LDD1863 
Large proline-rich protein BAG6 (BAG6) LDTP04094 5.66  LDD1863 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 5.74  LDD1863 
Neudesin (NENF) LDTP13630 5.06  LDD1863 
Nucleobindin-1 (NUCB1) LDTP05375 6.15  LDD1863 
Nucleobindin-2 (NUCB2) LDTP05160 13.36  LDD1863 
Protein Niban 2 (NIBAN2) LDTP10847 5.10  LDD1863 
Rap guanine nucleotide exchange factor 2 (RAPGEF2) LDTP14058 4.92  LDD1863 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 4.92  LDD1863 
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⏷ Show the Full List of 15 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
 LDD1863 
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