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

16 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 5.17  LDD1808 
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 5.17  LDD1808 
Cell division cycle protein 27 homolog (CDC27) LDTP03525 5.46  LDD1808 
Cell division cycle protein 27 homolog (CDC27) LDTP03525 5.46  LDD1808 
Delta(24)-sterol reductase (DHCR24) LDTP06375 7.11  LDD1808 
Delta(24)-sterol reductase (DHCR24) LDTP06375 7.11  LDD1808 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 15.45  LDD1808 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 15.45  LDD1808 
Prolyl 4-hydroxylase subunit alpha-1 (P4HA1) LDTP02679 7.73  LDD1808 
Prolyl 4-hydroxylase subunit alpha-1 (P4HA1) LDTP02679 7.73  LDD1808 
Proteasome subunit alpha type-2 (PSMA2) LDTP03331 8.40  LDD1808 
Proteasome subunit alpha type-2 (PSMA2) LDTP03331 8.40  LDD1808 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 5.35  LDD1808 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 5.35  LDD1808 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 6.11  LDD1808 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 6.11  LDD1808 
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⏷ Show the Full List of 16 Enzyme
12 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 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 7.46  LDD1808 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 9.99  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-A (TIMM17A) LDTP10913 6.82  LDD1808 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 8.11  LDD1808 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 8.11  LDD1808 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 5.62  LDD1808 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 5.62  LDD1808 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 5.10  LDD1808 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 5.10  LDD1808 
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⏷ Show the Full List of 12 Transporter and channel
8 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Clustered mitochondria protein homolog (CLUH) LDTP14486 5.54  LDD1808 
Clustered mitochondria protein homolog (CLUH) LDTP14486 5.54  LDD1808 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 10.06  LDD1808 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 10.06  LDD1808 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 30.91  LDD1808 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 30.91  LDD1808 
Nucleobindin-1 (NUCB1) LDTP05375 5.90  LDD1808 
Nucleobindin-1 (NUCB1) LDTP05375 5.90  LDD1808 
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⏷ Show the Full List of 8 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
 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