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

24 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP-dependent translocase ABCB1 (ABCB1) LDTP02254 6.45  LDD1804 
ATP-dependent translocase ABCB1 (ABCB1) LDTP02254 6.45  LDD1804 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 9.32  LDD1804 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 9.32  LDD1804 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 10.20  LDD1804 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 10.20  LDD1804 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 4.92  LDD1804 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 4.92  LDD1804 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 5.43  LDD1804 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 5.43  LDD1804 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 11.55  LDD1804 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 11.55  LDD1804 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 9.58  LDD1804 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 9.58  LDD1804 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 6.06  LDD1804 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 6.06  LDD1804 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 5.21  LDD1804 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 5.21  LDD1804 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 5.24  LDD1804 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 5.24  LDD1804 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 19.29  LDD1804 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 19.29  LDD1804 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 6.77  LDD1804 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 6.77  LDD1804 
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⏷ Show the Full List of 24 Enzyme
22 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 
Cation-independent mannose-6-phosphate receptor (IGF2R) LDTP02586 5.10  LDD1804 
Ceramide transfer protein (CERT1) LDTP14140 5.31  LDD1804 
Ceramide transfer protein (CERT1) LDTP14140 5.31  LDD1804 
Lysosome membrane protein 2 (SCARB2) LDTP06034 6.77  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-A (TIMM17A) LDTP10913 8.00  LDD1804 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 6.63  LDD1804 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 6.63  LDD1804 
Prosaposin (PSAP) LDTP02215 13.93  LDD1804 
Prosaposin (PSAP) LDTP02215 13.93  LDD1804 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 5.24  LDD1804 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 5.24  LDD1804 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 5.66  LDD1804 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 5.66  LDD1804 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.54  LDD1804 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.54  LDD1804 
Sortilin (SORT1) LDTP10885 5.70  LDD1804 
Sortilin (SORT1) LDTP10885 5.70  LDD1804 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 8.75  LDD1804 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 8.75  LDD1804 
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⏷ Show the Full List of 22 Transporter and channel
6 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 
Amyloid beta precursor like protein 2 (APLP2) LDTP05491 12.73  LDD1804 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 7.21  LDD1804 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 7.21  LDD1804 
Keratinocyte-associated transmembrane protein 2 (KCT2) LDTP19780 8.69  LDD1804 
Keratinocyte-associated transmembrane protein 2 (KCT2) LDTP19780 8.69  LDD1804 
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⏷ Show the Full List of 6 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
 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