Details of the Probe

General Information of Probe

Probe ID
LDPC0369
Probe Name
C125
Synonyms
Z4282860336
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 371.5
Lipid-water partition coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C21H33N5O
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-1-[2-[(4-methylpiperazin-1-yl)methyl]-6-azaspiro[2.5]octan-6-yl]propan-1-one
Canonical SMILES
CN1CCN(CC1)CC2CC23CCN(CC3)C(=O)CCC4(N=N4)CCC#C
InChI
InChI=1S/C21H33N5O/c1-3-4-6-21(22-23-21)7-5-19(27)26-10-8-20(9-11-26)16-18(20)17-25-14-12-24(2)13-15-25/h1,18H,4-17H2,2H3
InChIKey
SRXUFPBCMPYEQQ-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

7 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Alpha-galactosidase A (GLA) LDTP02141 4.99  LDD1809 
Cathepsin B (CTSB) LDTP02223 6.45  LDD1809 
Cathepsin Z (CTSZ) LDTP13147 6.11  LDD1809 
Delta(24)-sterol reductase (DHCR24) LDTP06375 9.99  LDD1809 
Lathosterol oxidase (SC5D) LDTP01329 8.46  LDD1809 
Legumain (LGMN) LDTP10888 5.03  LDD1809 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 7.89  LDD1809 
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⏷ Show the Full List of 7 Enzyme
1 Cytokine and receptor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Interferon gamma receptor 1 (IFNGR1) LDTP02775 7.26  LDD1809 
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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
 LDD1809 
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