Details of the Probe

General Information of Probe

Probe ID
LDPC0373
Probe Name
C131
Synonyms
Z3410164044
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 353.4
Lipid-water partition coefficient (xlogp) 0.7
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C18H19N5O3
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-[4-(2,6-dioxo-1,3-diazinan-4-yl)phenyl]propanamide
Canonical SMILES
C#CCCC1(N=N1)CCC(=O)NC2=CC=C(C=C2)C3CC(=O)NC(=O)N3
InChI
InChI=1S/C18H19N5O3/c1-2-3-9-18(22-23-18)10-8-15(24)19-13-6-4-12(5-7-13)14-11-16(25)21-17(26)20-14/h1,4-7,14H,3,8-11H2,(H,19,24)(H2,20,21,25,26)
InChIKey
WXKHQSAWWUUKSP-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

48 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Adenosine kinase (ADK) LDTP04689 16.68  LDD1813 
Adenosine kinase (ADK) LDTP04689 16.68  LDD1813 
Anaphase-promoting complex subunit 7 (ANAPC7) LDTP13409 5.06  LDD1813 
Anaphase-promoting complex subunit 7 (ANAPC7) LDTP13409 5.06  LDD1813 
Beta-glucuronidase (GUSB) LDTP02260 4.92  LDD1813 
Beta-glucuronidase (GUSB) LDTP02260 4.92  LDD1813 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 7.94  LDD1813 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 7.94  LDD1813 
Catechol O-methyltransferase (COMT) LDTP03145 6.96  LDD1813 
Catechol O-methyltransferase (COMT) LDTP03145 6.96  LDD1813 
Ceramide synthase 1 (CERS1) LDTP03394 5.62  LDD1813 
Ceramide synthase 1 (CERS1) LDTP03394 5.62  LDD1813 
Ceramide synthase 2 (CERS2) LDTP10329 5.28  LDD1813 
Ceramide synthase 2 (CERS2) LDTP10329 5.28  LDD1813 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 6.41  LDD1813 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 6.41  LDD1813 
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1) LDTP05724 4.92  LDD1813 
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1) LDTP05724 4.92  LDD1813 
Endoplasmic reticulum protein SC65 (P3H4) LDTP09874 6.15  LDD1813 
Endoplasmic reticulum protein SC65 (P3H4) LDTP09874 6.15  LDD1813 
Epoxide hydrolase 1 (EPHX1) LDTP02175 15.56  LDD1813 
Epoxide hydrolase 1 (EPHX1) LDTP02175 15.56  LDD1813 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 17.39  LDD1813 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 17.39  LDD1813 
Inhibitor of nuclear factor kappa-B kinase subunit alpha (CHUK) LDTP00538 7.52  LDD1813 
Inhibitor of nuclear factor kappa-B kinase subunit alpha (CHUK) LDTP00538 7.52  LDD1813 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 5.46  LDD1813 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 5.46  LDD1813 
NAD kinase 2, mitochondrial (NADK2) LDTP06839 23.92  LDD1813 
NAD kinase 2, mitochondrial (NADK2) LDTP06839 23.92  LDD1813 
Neurolysin, mitochondrial (NLN) LDTP11494 5.46  LDD1813 
Neurolysin, mitochondrial (NLN) LDTP11494 5.46  LDD1813 
Peptidyl-prolyl cis-trans isomerase FKBP14 (FKBP14) LDTP12720 10.63  LDD1813 
Peptidyl-prolyl cis-trans isomerase FKBP14 (FKBP14) LDTP12720 10.63  LDD1813 
Peroxisomal trans-2-enoyl-CoA reductase (PECR) LDTP11437 6.96  LDD1813 
Peroxisomal trans-2-enoyl-CoA reductase (PECR) LDTP11437 6.96  LDD1813 
Phosphatidylinositol 4-kinase type 2-alpha (PI4K2A) LDTP11209 6.06  LDD1813 
Phosphatidylinositol 4-kinase type 2-alpha (PI4K2A) LDTP11209 6.06  LDD1813 
Prolyl 3-hydroxylase 1 (P3H1) LDTP06750 22.01  LDD1813 
Prolyl 3-hydroxylase 1 (P3H1) LDTP06750 22.01  LDD1813 
Prostaglandin reductase 2 (PTGR2) LDTP08979 7.78  LDD1813 
Prostaglandin reductase 2 (PTGR2) LDTP08979 7.78  LDD1813 
Ribosomal protein S6 kinase alpha-1 (RPS6KA1) LDTP06384 7.26  LDD1813 
Ribosomal protein S6 kinase alpha-1 (RPS6KA1) LDTP06384 7.26  LDD1813 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 6.28  LDD1813 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 6.28  LDD1813 
Very long-chain specific acyl-CoA dehydrogenase, mitochondrial (ACADVL) LDTP04289 7.57  LDD1813 
Very long-chain specific acyl-CoA dehydrogenase, mitochondrial (ACADVL) LDTP04289 7.57  LDD1813 
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⏷ Show the Full List of 48 Enzyme
8 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 5.35  LDD1813 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 5.35  LDD1813 
Protein sel-1 homolog 1 (SEL1L) LDTP13164 5.43  LDD1813 
Protein sel-1 homolog 1 (SEL1L) LDTP13164 5.43  LDD1813 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 6.77  LDD1813 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 6.77  LDD1813 
Transmembrane protein 205 (TMEM205) LDTP07667 7.16  LDD1813 
Transmembrane protein 205 (TMEM205) LDTP07667 7.16  LDD1813 
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⏷ Show the Full List of 8 Transporter and channel
2 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Y-box-binding protein 1 (YBX1) LDTP05065 6.11  LDD1813 
Y-box-binding protein 1 (YBX1) LDTP05065 6.11  LDD1813 
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28 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 5.17  LDD1813 
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 5.17  LDD1813 
Apolipoprotein L2 (APOL2) LDTP11076 5.58  LDD1813 
Apolipoprotein L2 (APOL2) LDTP11076 5.58  LDD1813 
Calumenin (CALU) LDTP00887 13.00  LDD1813 
Calumenin (CALU) LDTP00887 13.00  LDD1813 
Centrosomal protein 43 (CEP43) LDTP01652 12.55  LDD1813 
Centrosomal protein 43 (CEP43) LDTP01652 12.55  LDD1813 
Cytoplasmic dynein 1 light intermediate chain 1 (DYNC1LI1) LDTP14250 14.12  LDD1813 
Cytoplasmic dynein 1 light intermediate chain 1 (DYNC1LI1) LDTP14250 14.12  LDD1813 
DnaJ homolog subfamily B member 11 (DNAJB11) LDTP13152 4.92  LDD1813 
DnaJ homolog subfamily B member 11 (DNAJB11) LDTP13152 4.92  LDD1813 
Inhibitor of nuclear factor kappa-B kinase-interacting protein (IKBIP) LDTP07891 5.54  LDD1813 
Inhibitor of nuclear factor kappa-B kinase-interacting protein (IKBIP) LDTP07891 5.54  LDD1813 
Neudesin (NENF) LDTP13630 9.92  LDD1813 
Neudesin (NENF) LDTP13630 9.92  LDD1813 
Neuferricin (CYB5D2) LDTP15623 24.25  LDD1813 
Neuferricin (CYB5D2) LDTP15623 24.25  LDD1813 
Nucleobindin-2 (NUCB2) LDTP05160 5.58  LDD1813 
Nucleobindin-2 (NUCB2) LDTP05160 5.58  LDD1813 
Rab9 effector protein with kelch motifs (RABEPK) LDTP08130 5.39  LDD1813 
Rab9 effector protein with kelch motifs (RABEPK) LDTP08130 5.39  LDD1813 
Reticulocalbin-1 (RCN1) LDTP06352 5.46  LDD1813 
Reticulocalbin-1 (RCN1) LDTP06352 5.46  LDD1813 
Reticulocalbin-2 (RCN2) LDTP06097 9.65  LDD1813 
Reticulocalbin-2 (RCN2) LDTP06097 9.65  LDD1813 
RNA-binding protein 3 (RBM3) LDTP05226 5.17  LDD1813 
RNA-binding protein 3 (RBM3) LDTP05226 5.17  LDD1813 
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⏷ Show the Full List of 28 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
 LDD1813 
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