Details of the Probe

General Information of Probe

Probe ID
LDPC0380
Probe Name
C138
Synonyms
Z4286591703
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 336.37
Lipid-water partition coefficient (xlogp) 0.1
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C13H16N6O3S
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1,1-dioxo-3,4-dihydro-2H-pyrazolo[1,5-e][1,2,5]thiadiazine-7-carboxamide
Canonical SMILES
C#CCCC1(N=N1)CCNC(=O)C2=NN3CCNS(=O)(=O)C3=C2
InChI
InChI=1S/C13H16N6O3S/c1-2-3-4-13(17-18-13)5-6-14-12(20)10-9-11-19(16-10)8-7-15-23(11,21)22/h1,9,15H,3-8H2,(H,14,20)
InChIKey
CLPPPPXYWKJKMU-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

19 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 5.21  LDD1820 
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 9.13  LDD1820 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 5.39  LDD1820 
Antigen peptide transporter 1 (TAP1) LDTP05408 16.00  LDD1820 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 13.00  LDD1820 
Glycerol-3-phosphate acyltransferase 1, mitochondrial (GPAM) LDTP12253 5.90  LDD1820 
Histone-lysine N-methyltransferase 2A (KMT2A) LDTP05396 5.24  LDD1820 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 5.24  LDD1820 
Lanosterol synthase (LSS) LDTP04183 5.21  LDD1820 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 21.86  LDD1820 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 9.13  LDD1820 
Mitochondrial cardiolipin hydrolase (PLD6) LDTP08790 4.96  LDD1820 
Peptidyl-prolyl cis-trans isomerase FKBP14 (FKBP14) LDTP12720 9.92  LDD1820 
Prolyl 4-hydroxylase subunit alpha-2 (P4HA2) LDTP00645 5.28  LDD1820 
Protein SCO1 homolog, mitochondrial (SCO1) LDTP01335 5.03  LDD1820 
RAC-beta serine/threonine-protein kinase (AKT2) LDTP03608 6.11  LDD1820 
Retinal dehydrogenase 2 (ALDH1A2) LDTP01419 5.58  LDD1820 
Ribosomal protein S6 kinase alpha-1 (RPS6KA1) LDTP06384 7.84  LDD1820 
RNA cytosine C(5)-methyltransferase NSUN2 (NSUN2) LDTP05588 5.10  LDD1820 
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⏷ Show the Full List of 19 Enzyme
14 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
BRI3-binding protein (BRI3BP) LDTP15648 5.58  LDD1820 
Cytoskeleton-associated protein 4 (CKAP4) LDTP05511 6.36  LDD1820 
ER membrane protein complex subunit 5 (MMGT1) LDTP08878 5.54  LDD1820 
Metaxin-1 (MTX1) LDTP05900 7.36  LDD1820 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 8.11  LDD1820 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 7.73  LDD1820 
Mpv17-like protein 2 (MPV17L2) LDTP14952 6.87  LDD1820 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 5.86  LDD1820 
Protein sel-1 homolog 1 (SEL1L) LDTP13164 6.15  LDD1820 
Reduced folate transporter (SLC19A1) LDTP03952 5.31  LDD1820 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 31.34  LDD1820 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 5.74  LDD1820 
Surfeit locus protein 4 (SURF4) LDTP00592 5.13  LDD1820 
Transmembrane protein 205 (TMEM205) LDTP07667 5.74  LDD1820 
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⏷ Show the Full List of 14 Transporter and channel
17 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 5.06  LDD1820 
Clustered mitochondria protein homolog (CLUH) LDTP14486 4.99  LDD1820 
Coatomer subunit epsilon (COPE) LDTP00376 7.31  LDD1820 
Dedicator of cytokinesis protein 1 (DOCK1) LDTP06072 7.36  LDD1820 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 8.88  LDD1820 
Eukaryotic translation initiation factor 5 (EIF5) LDTP04652 4.92  LDD1820 
Inhibitor of nuclear factor kappa-B kinase-interacting protein (IKBIP) LDTP07891 10.48  LDD1820 
Keratin, type I cytoskeletal 18 (KRT18) LDTP02124 5.24  LDD1820 
Large proline-rich protein BAG6 (BAG6) LDTP04094 5.82  LDD1820 
Neudesin (NENF) LDTP13630 5.58  LDD1820 
Neuferricin (CYB5D2) LDTP15623 22.47  LDD1820 
Nucleobindin-1 (NUCB1) LDTP05375 4.99  LDD1820 
Nucleobindin-2 (NUCB2) LDTP05160 4.99  LDD1820 
Oxysterol-binding protein-related protein 6 (OSBPL6) LDTP11533 8.00  LDD1820 
Protein CutA (CUTA) LDTP01075 4.99  LDD1820 
Reticulocalbin-2 (RCN2) LDTP06097 6.45  LDD1820 
UV excision repair protein RAD23 homolog A (RAD23A) LDTP04626 5.10  LDD1820 
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⏷ Show the Full List of 17 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
 LDD1820 
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