Details of the Probe

General Information of Probe

Probe ID
LDPC0611
Probe Name
C392
Synonyms
Z3433407527
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 395.5
Lipid-water partition coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C20H21N5O2S
IUPAC Name
N-[2-[2-(3-but-3-ynyldiazirin-3-yl)ethylcarbamoyl]phenyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
Canonical SMILES
CC1=C(SC=N1)C(=O)N(C)C2=CC=CC=C2C(=O)NCCC3(N=N3)CCC#C
InChI
InChI=1S/C20H21N5O2S/c1-4-5-10-20(23-24-20)11-12-21-18(26)15-8-6-7-9-16(15)25(3)19(27)17-14(2)22-13-28-17/h1,6-9,13H,5,10-12H2,2-3H3,(H,21,26)
InChIKey
SOGVQMANNTUSQM-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

28 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 6.06  LDD2051 
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 6.06  LDD2051 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 5.06  LDD2051 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 5.06  LDD2051 
Choline kinase alpha (CHKA) LDTP03787 11.55  LDD2051 
Choline kinase alpha (CHKA) LDTP03787 11.55  LDD2051 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 5.13  LDD2051 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 5.13  LDD2051 
Dihydrofolate reductase (DHFR) LDTP01769 26.54  LDD2051 
Dihydrofolate reductase (DHFR) LDTP01769 26.54  LDD2051 
Glyoxalase domain-containing protein 4 (GLOD4) LDTP16040 6.11  LDD2051 
Glyoxalase domain-containing protein 4 (GLOD4) LDTP16040 6.11  LDD2051 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 11.16  LDD2051 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 11.16  LDD2051 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 10.06  LDD2051 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 10.06  LDD2051 
Mitochondrial cardiolipin hydrolase (PLD6) LDTP08790 7.78  LDD2051 
Mitochondrial cardiolipin hydrolase (PLD6) LDTP08790 7.78  LDD2051 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 7.01  LDD2051 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 7.01  LDD2051 
Protein O-GlcNAcase (OGA) LDTP00988 5.54  LDD2051 
Protein O-GlcNAcase (OGA) LDTP00988 5.54  LDD2051 
Ras-related protein Rab-11B (RAB11B) LDTP06501 5.74  LDD2051 
Ras-related protein Rab-11B (RAB11B) LDTP06501 5.74  LDD2051 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 11.88  LDD2051 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 11.88  LDD2051 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 23.26  LDD2051 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 23.26  LDD2051 
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⏷ Show the Full List of 28 Enzyme
12 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Cytochrome c oxidase subunit 4 isoform 1, mitochondrial (COX4I1) LDTP02645 5.98  LDD2051 
Cytochrome c oxidase subunit 4 isoform 1, mitochondrial (COX4I1) LDTP02645 5.98  LDD2051 
Mpv17-like protein 2 (MPV17L2) LDTP14952 5.58  LDD2051 
Mpv17-like protein 2 (MPV17L2) LDTP14952 5.58  LDD2051 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 6.77  LDD2051 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 6.77  LDD2051 
STARD3 N-terminal-like protein (STARD3NL) LDTP01671 5.06  LDD2051 
STARD3 N-terminal-like protein (STARD3NL) LDTP01671 5.06  LDD2051 
Transmembrane protein 87A (TMEM87A) LDTP15481 4.92  LDD2051 
Transmembrane protein 87A (TMEM87A) LDTP15481 4.92  LDD2051 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 6.54  LDD2051 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 6.54  LDD2051 
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⏷ Show the Full List of 12 Transporter and channel
16 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 18.64  LDD2051 
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 18.64  LDD2051 
Heat shock protein beta-1 (HSPB1) LDTP02053 9.13  LDD2051 
Heat shock protein beta-1 (HSPB1) LDTP02053 9.13  LDD2051 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 6.92  LDD2051 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 6.92  LDD2051 
Neudesin (NENF) LDTP13630 7.62  LDD2051 
Neudesin (NENF) LDTP13630 7.62  LDD2051 
Nucleobindin-1 (NUCB1) LDTP05375 5.28  LDD2051 
Nucleobindin-1 (NUCB1) LDTP05375 5.28  LDD2051 
Nucleobindin-2 (NUCB2) LDTP05160 8.46  LDD2051 
Nucleobindin-2 (NUCB2) LDTP05160 8.46  LDD2051 
RNA-binding protein 3 (RBM3) LDTP05226 6.32  LDD2051 
RNA-binding protein 3 (RBM3) LDTP05226 6.32  LDD2051 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 6.87  LDD2051 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 6.87  LDD2051 
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⏷ Show the Full List of 16 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
 LDD2051 
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