Details of the Probe

General Information of Probe

Probe ID
LDPC0636
Probe Name
C421
Synonyms
Z4225929714
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 334.8
Lipid-water partition coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C16H19ClN4O2
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-chloro-6-propan-2-yloxypyridine-2-carboxamide
Canonical SMILES
CC(C)OC1=NC(=C(C=C1)Cl)C(=O)NCCC2(N=N2)CCC#C
InChI
InChI=1S/C16H19ClN4O2/c1-4-5-8-16(20-21-16)9-10-18-15(22)14-12(17)6-7-13(19-14)23-11(2)3/h1,6-7,11H,5,8-10H2,2-3H3,(H,18,22)
InChIKey
MGTZSQJAZBYHNH-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

6 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 6.50  LDD2076 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 6.50  LDD2076 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 17.75  LDD2076 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 17.75  LDD2076 
Vitamin K epoxide reductase complex subunit 1-like protein 1 (VKORC1L1) LDTP08728 15.14  LDD2076 
Vitamin K epoxide reductase complex subunit 1-like protein 1 (VKORC1L1) LDTP08728 15.14  LDD2076 
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⏷ Show the Full List of 6 Enzyme
14 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 46.21  LDD2076 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 46.21  LDD2076 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 12.91  LDD2076 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 12.91  LDD2076 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 11.55  LDD2076 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 11.55  LDD2076 
Prosaposin (PSAP) LDTP02215 13.09  LDD2076 
Prosaposin (PSAP) LDTP02215 13.09  LDD2076 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 48.17  LDD2076 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 48.17  LDD2076 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 9.19  LDD2076 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 9.19  LDD2076 
Transmembrane emp24 domain-containing protein 2 (TMED2) LDTP06365 7.84  LDD2076 
Transmembrane emp24 domain-containing protein 2 (TMED2) LDTP06365 7.84  LDD2076 
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⏷ Show the Full List of 14 Transporter and channel
4 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 31.12  LDD2076 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 31.12  LDD2076 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 29.45  LDD2076 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 29.45  LDD2076 
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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
 LDD2076 
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