Details of the Probe

General Information of Probe

Probe ID
LDPC0350
Probe Name
C102
Synonyms
Z4225934619
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 330.77
Lipid-water partition coefficient (xlogp) 1.9
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C16H15ClN4O2
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-6-chloro-2-oxo-1,3-dihydroindole-5-carboxamide
Canonical SMILES
C#CCCC1(N=N1)CCNC(=O)C2=C(C=C3C(=C2)CC(=O)N3)Cl
InChI
InChI=1S/C16H15ClN4O2/c1-2-3-4-16(20-21-16)5-6-18-15(23)11-7-10-8-14(22)19-13(10)9-12(11)17/h1,7,9H,3-6,8H2,(H,18,23)(H,19,22)
InChIKey
RAZIBBCAVOPKPW-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

16 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5'-3' exonuclease PLD3 (PLD3) LDTP08476 7.94  LDD1790 
Adenosine deaminase (ADA) LDTP01803 4.99  LDD1790 
ATP synthase subunit beta, mitochondrial (ATP5F1B) LDTP02150 5.86  LDD1790 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 11.79  LDD1790 
Chitinase domain-containing protein 1 (CHID1) LDTP11336 6.15  LDD1790 
Cytochrome b5 type B (CYB5B) LDTP00697 5.50  LDD1790 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 5.90  LDD1790 
Ethanolamine kinase 1 (ETNK1) LDTP12197 5.21  LDD1790 
Glycerophosphodiester phosphodiesterase 1 (GDE1) LDTP12886 9.13  LDD1790 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 4.92  LDD1790 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 7.41  LDD1790 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 8.06  LDD1790 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 5.03  LDD1790 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 5.94  LDD1790 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 7.16  LDD1790 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 6.19  LDD1790 
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⏷ Show the Full List of 16 Enzyme
10 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 5.46  LDD1790 
Metaxin-1 (MTX1) LDTP05900 6.11  LDD1790 
Metaxin-2 (MTX2) LDTP01217 5.70  LDD1790 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.10  LDD1790 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 5.50  LDD1790 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 21.86  LDD1790 
Mpv17-like protein 2 (MPV17L2) LDTP14952 11.47  LDD1790 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 9.32  LDD1790 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.13  LDD1790 
Transmembrane protein 205 (TMEM205) LDTP07667 6.54  LDD1790 
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⏷ Show the Full List of 10 Transporter and channel
13 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 6.96  LDD1790 
Centromere protein K (CENPK) LDTP11143 10.06  LDD1790 
Centrosomal protein 43 (CEP43) LDTP01652 5.62  LDD1790 
Clustered mitochondria protein homolog (CLUH) LDTP14486 6.68  LDD1790 
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 4.96  LDD1790 
Keratin, type I cytoskeletal 18 (KRT18) LDTP02124 5.90  LDD1790 
Large proline-rich protein BAG6 (BAG6) LDTP04094 5.35  LDD1790 
Mdm2-binding protein (MTBP) LDTP15714 8.88  LDD1790 
Neudesin (NENF) LDTP13630 7.16  LDD1790 
Neuferricin (CYB5D2) LDTP15623 14.32  LDD1790 
Proteasome assembly chaperone 1 (PSMG1) LDTP01608 7.06  LDD1790 
Reticulocalbin-2 (RCN2) LDTP06097 5.86  LDD1790 
U3 small nucleolar ribonucleoprotein protein MPP10 (MPHOSPH10) LDTP00312 6.15  LDD1790 
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⏷ Show the Full List of 13 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
 LDD1790 
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