Details of the Probe

General Information of Probe

Probe ID
LDPC0364
Probe Name
C117
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 288.395
Lipid-water partition coefficient (xlogp) 2.0388
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C16H24N4O
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])N3C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])C3([H])[H])N=N1
InChI
InChI=1S/C16H24N4O/c1-2-3-8-16(17-18-16)9-7-15(21)20-12-11-19-10-5-4-6-14(20)13-19/h1,14H,3-13H2/t14-/m1/s1
InChIKey
FNTXVSNNVMAORR-CQSZACIVSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

12 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP-dependent translocase ABCB1 (ABCB1) LDTP02254 6.45  LDD1804 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 9.32  LDD1804 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 10.20  LDD1804 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 4.92  LDD1804 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 5.43  LDD1804 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 11.55  LDD1804 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 9.58  LDD1804 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 6.06  LDD1804 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 5.21  LDD1804 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 5.24  LDD1804 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 19.29  LDD1804 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 6.77  LDD1804 
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⏷ Show the Full List of 12 Enzyme
11 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Cation-independent mannose-6-phosphate receptor (IGF2R) LDTP02586 5.10  LDD1804 
Ceramide transfer protein (CERT1) LDTP14140 5.31  LDD1804 
Lysosome membrane protein 2 (SCARB2) LDTP06034 6.77  LDD1804 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 8.00  LDD1804 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 6.63  LDD1804 
Prosaposin (PSAP) LDTP02215 13.93  LDD1804 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 5.24  LDD1804 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 5.66  LDD1804 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.54  LDD1804 
Sortilin (SORT1) LDTP10885 5.70  LDD1804 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 8.75  LDD1804 
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⏷ Show the Full List of 11 Transporter and channel
3 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Amyloid beta precursor like protein 2 (APLP2) LDTP05491 12.73  LDD1804 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 7.21  LDD1804 
Keratinocyte-associated transmembrane protein 2 (KCT2) LDTP19780 8.69  LDD1804 
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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
 LDD1804 
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