Details of the Probe

General Information of Probe

Probe ID
LDPC0368
Probe Name
C122
Synonyms
Z4286591568
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 381.4
Lipid-water partition coefficient (xlogp) 1.9
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C20H23N5O3
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
Canonical SMILES
CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NCCC3(N=N3)CCC#C)C
InChI
InChI=1S/C20H23N5O3/c1-4-5-10-20(23-24-20)11-12-21-16(26)13-25-17(27)19(3,22-18(25)28)15-8-6-14(2)7-9-15/h1,6-9H,5,10-13H2,2-3H3,(H,21,26)(H,22,28)
InChIKey
DKVUIQQDEGVXRK-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

8 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 5.17  LDD1808 
Cell division cycle protein 27 homolog (CDC27) LDTP03525 5.46  LDD1808 
Delta(24)-sterol reductase (DHCR24) LDTP06375 7.11  LDD1808 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 15.45  LDD1808 
Prolyl 4-hydroxylase subunit alpha-1 (P4HA1) LDTP02679 7.73  LDD1808 
Proteasome subunit alpha type-2 (PSMA2) LDTP03331 8.40  LDD1808 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 5.35  LDD1808 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 6.11  LDD1808 
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⏷ Show the Full List of 8 Enzyme
6 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 7.46  LDD1808 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 9.99  LDD1808 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 6.82  LDD1808 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 8.11  LDD1808 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 5.62  LDD1808 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 5.10  LDD1808 
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⏷ Show the Full List of 6 Transporter and channel
4 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Clustered mitochondria protein homolog (CLUH) LDTP14486 5.54  LDD1808 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 10.06  LDD1808 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 30.91  LDD1808 
Nucleobindin-1 (NUCB1) LDTP05375 5.90  LDD1808 
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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
 LDD1808 
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