Details of the Probe

General Information of Probe

Probe ID
LDPC0630
Probe Name
C414
Synonyms
Z4282860224
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 323.4
Lipid-water partition coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C17H23F2N3O
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-1-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)propan-1-one
Canonical SMILES
C#CCCC1(N=N1)CCC(=O)N2CCC3(CCC(C3)(F)F)CC2
InChI
InChI=1S/C17H23F2N3O/c1-2-3-5-17(20-21-17)6-4-14(23)22-11-9-15(10-12-22)7-8-16(18,19)13-15/h1H,3-13H2
InChIKey
GRYHDGOGESGYSJ-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

34 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 18.25  LDD2070 
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 18.25  LDD2070 
Cathepsin B (CTSB) LDTP02223 7.52  LDD2070 
Cathepsin B (CTSB) LDTP02223 7.52  LDD2070 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 31.12  LDD2070 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 31.12  LDD2070 
E3 ubiquitin-protein ligase BRE1B (RNF40) LDTP01141 11.55  LDD2070 
E3 ubiquitin-protein ligase BRE1B (RNF40) LDTP01141 11.55  LDD2070 
E3 ubiquitin-protein ligase TRIM21 (TRIM21) LDTP03001 5.17  LDD2070 
E3 ubiquitin-protein ligase TRIM21 (TRIM21) LDTP03001 5.17  LDD2070 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 14.12  LDD2070 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 14.12  LDD2070 
Lysine-specific histone demethylase 2 (KDM1B) LDTP09043 14.12  LDD2070 
Lysine-specific histone demethylase 2 (KDM1B) LDTP09043 14.12  LDD2070 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 9.00  LDD2070 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 9.00  LDD2070 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 13.83  LDD2070 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 13.83  LDD2070 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 5.21  LDD2070 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 5.21  LDD2070 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 5.24  LDD2070 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 5.24  LDD2070 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 7.21  LDD2070 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 7.21  LDD2070 
Proteasome subunit beta type-5 (PSMB5) LDTP03419 5.28  LDD2070 
Proteasome subunit beta type-5 (PSMB5) LDTP03419 5.28  LDD2070 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 5.98  LDD2070 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 5.98  LDD2070 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 5.82  LDD2070 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 5.82  LDD2070 
TLC domain-containing protein 1 (TLCD1) LDTP10182 9.58  LDD2070 
TLC domain-containing protein 1 (TLCD1) LDTP10182 9.58  LDD2070 
Trifunctional enzyme subunit alpha, mitochondrial (HADHA) LDTP03912 6.11  LDD2070 
Trifunctional enzyme subunit alpha, mitochondrial (HADHA) LDTP03912 6.11  LDD2070 
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⏷ Show the Full List of 34 Enzyme
18 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
BOS complex subunit NCLN (NCLN) LDTP10036 6.68  LDD2070 
BOS complex subunit NCLN (NCLN) LDTP10036 6.68  LDD2070 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 16.91  LDD2070 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 16.91  LDD2070 
MFS-type transporter SLC18B1 (SLC18B1) LDTP07462 7.21  LDD2070 
MFS-type transporter SLC18B1 (SLC18B1) LDTP07462 7.21  LDD2070 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 15.14  LDD2070 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 15.14  LDD2070 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 5.43  LDD2070 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 5.43  LDD2070 
Proton-coupled amino acid transporter 1 (SLC36A1) LDTP08016 5.24  LDD2070 
Proton-coupled amino acid transporter 1 (SLC36A1) LDTP08016 5.24  LDD2070 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.24  LDD2070 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.24  LDD2070 
Transmembrane protein 199 (TMEM199) LDTP08881 9.51  LDD2070 
Transmembrane protein 199 (TMEM199) LDTP08881 9.51  LDD2070 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 14.93  LDD2070 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 14.93  LDD2070 
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⏷ Show the Full List of 18 Transporter and channel
8 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 7.78  LDD2070 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 7.78  LDD2070 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 11.00  LDD2070 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 11.00  LDD2070 
Protein unc-119 homolog B (UNC119B) LDTP00105 11.55  LDD2070 
Protein unc-119 homolog B (UNC119B) LDTP00105 11.55  LDD2070 
Synaptic vesicle glycoprotein 2A (SV2A) LDTP07934 5.62  LDD2070 
Synaptic vesicle glycoprotein 2A (SV2A) LDTP07934 5.62  LDD2070 
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⏷ Show the Full List of 8 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
 LDD2070 
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