Details of the Probe

General Information of Probe

Probe ID
LDPC0431
Probe Name
C195
Synonyms
Z4286347580
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 317.4
Lipid-water partition coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C18H27N3O2
IUPAC Name
1-[(3aR,8aS)-7,7-dimethyl-3,3a,4,6,8,8a-hexahydro-2H-furo[3,2-c]azepin-5-yl]-3-(3-but-3-ynyldiazirin-3-yl)propan-1-one
Canonical SMILES
CC1(CC2C(CCO2)CN(C1)C(=O)CCC3(N=N3)CCC#C)C
InChI
InChI=1S/C18H27N3O2/c1-4-5-8-18(19-20-18)9-6-16(22)21-12-14-7-10-23-15(14)11-17(2,3)13-21/h1,14-15H,5-13H2,2-3H3/t14-,15+/m1/s1
InChIKey
WBAXREUJWRWHPI-CABCVRRESA-N

The Probe Interaction Atlas

Target(s) List of this Probe

13 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 5.21  LDD1871 
Dihydrofolate reductase (DHFR) LDTP01769 11.08  LDD1871 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 6.54  LDD1871 
Lysine-specific histone demethylase 2 (KDM1B) LDTP09043 5.46  LDD1871 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.74  LDD1871 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 7.21  LDD1871 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 28.84  LDD1871 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 13.27  LDD1871 
Presequence protease, mitochondrial (PITRM1) LDTP07003 6.68  LDD1871 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 6.41  LDD1871 
Proteasome subunit beta type-4 (PSMB4) LDTP03417 5.54  LDD1871 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 7.06  LDD1871 
Ubiquitin thioesterase OTUB1 (OTUB1) LDTP10318 7.62  LDD1871 
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⏷ Show the Full List of 13 Enzyme
4 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Oxysterol-binding protein-related protein 8 (OSBPL8) LDTP11531 9.78  LDD1871 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.03  LDD1871 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 9.06  LDD1871 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 6.06  LDD1871 
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4 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 13.74  LDD1871 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 5.17  LDD1871 
Neuferricin (CYB5D2) LDTP15623 5.31  LDD1871 
p53 and DNA damage-regulated protein 1 (PDRG1) LDTP16099 10.63  LDD1871 
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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
 LDD1871 
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