Details of the Probe

General Information of Probe

Probe ID
LDPC0396
Probe Name
C156
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 313.323
Lipid-water partition coefficient (xlogp) 3.3554
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C15H18F3N3O
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C2([H])C([H])([H])C([H])=C([H])C([H])([H])C2([H])C(F)(F)F)N=N1
InChI
InChI=1S/C15H18F3N3O/c1-2-3-9-14(20-21-14)10-8-13(22)19-12-7-5-4-6-11(12)15(16,17)18/h1,4-5,11-12H,3,6-10H2,(H,19,22)/t11-,12-/m1/s1
InChIKey
HVXDVHSPIGVNMN-VXGBXAGGSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

21 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Ceramide kinase (CERK) LDTP09391 7.21  LDD1836 
Cytochrome b5 type B (CYB5B) LDTP00697 10.41  LDD1836 
Epoxide hydrolase 1 (EPHX1) LDTP02175 28.05  LDD1836 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 6.02  LDD1836 
Heme oxygenase 1 (HMOX1) LDTP02359 9.32  LDD1836 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 9.38  LDD1836 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 8.34  LDD1836 
Methylsterol monooxygenase 1 (MSMO1) LDTP06477 5.78  LDD1836 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 8.46  LDD1836 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 5.13  LDD1836 
Peptidyl-prolyl cis-trans isomerase FKBP7 (FKBP7) LDTP14218 8.75  LDD1836 
Peptidyl-prolyl cis-trans isomerase FKBP9 (FKBP9) LDTP01562 5.17  LDD1836 
Phospholipase A2 group XV (PLA2G15) LDTP09088 6.41  LDD1836 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 7.94  LDD1836 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 6.19  LDD1836 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 8.40  LDD1836 
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (PDE6D) LDTP00907 9.38  LDD1836 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 19.29  LDD1836 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 5.94  LDD1836 
Transmembrane protein with metallophosphoesterase domain (TMPPE) LDTP07831 5.50  LDD1836 
Vitamin K epoxide reductase complex subunit 1-like protein 1 (VKORC1L1) LDTP08728 20.11  LDD1836 
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⏷ Show the Full List of 21 Enzyme
19 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 11.24  LDD1836 
Lysosome membrane protein 2 (SCARB2) LDTP06034 14.83  LDD1836 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 14.93  LDD1836 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 23.43  LDD1836 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 5.46  LDD1836 
Protein GPR107 (GPR107) LDTP07236 11.96  LDD1836 
Protein tweety homolog 3 (TTYH3) LDTP11615 5.31  LDD1836 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 15.89  LDD1836 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 8.28  LDD1836 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 22.94  LDD1836 
Solute carrier family 25 member 35 (SLC25A35) LDTP17106 7.26  LDD1836 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 7.36  LDD1836 
Sugar transporter SWEET1 (SLC50A1) LDTP11136 15.03  LDD1836 
Tetraspanin-3 (TSPAN3) LDTP16813 5.70  LDD1836 
Transmembrane emp24 domain-containing protein 2 (TMED2) LDTP06365 6.36  LDD1836 
Transmembrane protein 199 (TMEM199) LDTP08881 16.00  LDD1836 
Transmembrane protein 59 (TMEM59) LDTP11406 5.28  LDD1836 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 6.11  LDD1836 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 7.78  LDD1836 
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⏷ Show the Full List of 19 Transporter and channel
19 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Arf-GAP with coiled-coil, ANK repeat and PH domain-containing protein 2 (ACAP2) LDTP06302 6.02  LDD1836 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 6.06  LDD1836 
Clustered mitochondria protein homolog (CLUH) LDTP14486 8.17  LDD1836 
Cytoplasmic dynein 2 intermediate chain 2 (DYNC2I2) LDTP10281 9.25  LDD1836 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 9.71  LDD1836 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 28.05  LDD1836 
Large proline-rich protein BAG6 (BAG6) LDTP04094 6.50  LDD1836 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 5.86  LDD1836 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 12.13  LDD1836 
Nucleobindin-1 (NUCB1) LDTP05375 5.78  LDD1836 
Nucleobindin-2 (NUCB2) LDTP05160 5.90  LDD1836 
p53 and DNA damage-regulated protein 1 (PDRG1) LDTP16099 10.06  LDD1836 
Phosphatidylethanolamine-binding protein 1 (PEBP1) LDTP03520 5.24  LDD1836 
Protein unc-119 homolog A (UNC119) LDTP05868 5.46  LDD1836 
Protein unc-119 homolog B (UNC119B) LDTP00105 9.71  LDD1836 
Reticulocalbin-2 (RCN2) LDTP06097 5.31  LDD1836 
Reticulon-3 (RTN3) LDTP01522 4.96  LDD1836 
Tetraspanin-6 (TSPAN6) LDTP14458 5.28  LDD1836 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 5.90  LDD1836 
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⏷ Show the Full List of 19 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
 LDD1836 
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