Details of the Probe

General Information of Probe

Probe ID
LDPC0619
Probe Name
C400
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 287.367
Lipid-water partition coefficient (xlogp) 2.4026
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C15H21N5O
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2nc(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])n([H])c2[H])N=N1
InChI
InChI=1S/C15H21N5O/c1-5-6-7-15(19-20-15)8-9-16-12(21)11-10-17-13(18-11)14(2,3)4/h1,10H,6-9H2,2-4H3,(H,16,21)(H,17,18)
InChIKey
HCDXJNGWLPDPKS-UHFFFAOYSA-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
Dynamin-1-like protein (DNM1L) LDTP00273 5.62  LDD2059 
Endoplasmic reticulum aminopeptidase 1 (ERAP1) LDTP12868 5.98  LDD2059 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 8.40  LDD2059 
Glycerol-3-phosphate acyltransferase 1, mitochondrial (GPAM) LDTP12253 15.24  LDD2059 
Heparan sulfate 2-O-sulfotransferase 1 (HS2ST1) LDTP07990 6.15  LDD2059 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 13.74  LDD2059 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 9.32  LDD2059 
Prostaglandin reductase 1 (PTGR1) LDTP06227 6.96  LDD2059 
Prostaglandin reductase 3 (PTGR3) LDTP15422 11.63  LDD2059 
Proteasome subunit beta type-5 (PSMB5) LDTP03419 7.31  LDD2059 
Sphingosine kinase 2 (SPHK2) LDTP12490 6.87  LDD2059 
Thimet oligopeptidase (THOP1) LDTP04542 5.21  LDD2059 
Vitamin K epoxide reductase complex subunit 1-like protein 1 (VKORC1L1) LDTP08728 5.13  LDD2059 
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⏷ Show the Full List of 13 Enzyme
12 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
BOS complex subunit NCLN (NCLN) LDTP10036 7.62  LDD2059 
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 5.54  LDD2059 
Metaxin-1 (MTX1) LDTP05900 5.98  LDD2059 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 5.62  LDD2059 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 16.22  LDD2059 
Mitochondrial pyruvate carrier 2 (MPC2) LDTP01631 5.86  LDD2059 
Protein GPR107 (GPR107) LDTP07236 5.54  LDD2059 
Protein GPR108 (GPR108) LDTP12383 9.71  LDD2059 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 5.54  LDD2059 
Solute carrier family 25 member 33 (SLC25A33) LDTP11162 5.54  LDD2059 
SUN domain-containing protein 2 (SUN2) LDTP13256 8.34  LDD2059 
Surfeit locus protein 4 (SURF4) LDTP00592 5.17  LDD2059 
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⏷ Show the Full List of 12 Transporter and channel
5 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Clustered mitochondria protein homolog (CLUH) LDTP14486 7.41  LDD2059 
Large ribosomal subunit protein mL64 (GADD45GIP1) LDTP09297 6.82  LDD2059 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 4.92  LDD2059 
Nucleobindin-2 (NUCB2) LDTP05160 4.92  LDD2059 
Retinol-binding protein 1 (RBP1) LDTP02345 16.22  LDD2059 
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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
 LDD2059 
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