Details of the Probe

General Information of Probe

Probe ID
LDPC0305
Probe Name
C046
Synonyms
Z4286591617
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 370.4
Lipid-water partition coefficient (xlogp) 0.6
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C18H18N4O3S
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1,5-dioxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Canonical SMILES
C#CCCC1(N=N1)CCNC(=O)C2CS(=O)C3N2C(=O)C4=CC=CC=C34
InChI
InChI=1S/C18H18N4O3S/c1-2-3-8-18(20-21-18)9-10-19-15(23)14-11-26(25)17-13-7-5-4-6-12(13)16(24)22(14)17/h1,4-7,14,17H,3,8-11H2,(H,19,23)
InChIKey
SSEZWDHQLSHLHA-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

2 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Lipid droplet-associated hydrolase (LDAH) LDTP16007 18.51  LDD1745 
N-alpha-acetyltransferase 40 (NAA40) LDTP08265 18.13  LDD1745 
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1 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Sorting nexin-30 (SNX30) LDTP07239 5.39  LDD1745 
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5 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Pre-mRNA-processing factor 40 homolog A (PRPF40A) LDTP01208 45.25  LDD1745 
Rap guanine nucleotide exchange factor 6 (RAPGEF6) LDTP09509 12.13  LDD1745 
Small glutamine-rich tetratricopeptide repeat-containing protein alpha (SGTA) LDTP00862 5.24  LDD1745 
Transcription elongation regulator 1 (TCERG1) LDTP00430 29.45  LDD1745 
WW domain-containing adapter protein with coiled-coil (WAC) LDTP11191 42.81  LDD1745 
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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
 LDD1745 
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