Details of the Probe

General Information of Probe

Probe ID
LDPC0341
Probe Name
C089
Synonyms
Z4282860673
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 381.5
Lipid-water partition coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C21H27N5O2
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-1-[(4R,6S)-4-ethoxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]propan-1-one
Canonical SMILES
CCOC1CC2CN(CC3=C(N2C1)N=CC=C3)C(=O)CCC4(N=N4)CCC#C
InChI
InChI=1S/C21H27N5O2/c1-3-5-9-21(23-24-21)10-8-19(27)25-13-16-7-6-11-22-20(16)26-15-18(28-4-2)12-17(26)14-25/h1,6-7,11,17-18H,4-5,8-10,12-15H2,2H3/t17-,18+/m0/s1
InChIKey
YUSBUFUYQVKOCC-ZWKOTPCHSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

52 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 6.36  LDD1781 
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 6.36  LDD1781 
Adenosine deaminase (ADA) LDTP01803 8.46  LDD1781 
Adenosine deaminase (ADA) LDTP01803 8.46  LDD1781 
Choline kinase alpha (CHKA) LDTP03787 14.72  LDD1781 
Choline kinase alpha (CHKA) LDTP03787 14.72  LDD1781 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 8.69  LDD1781 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 8.69  LDD1781 
Dihydrofolate reductase (DHFR) LDTP01769 6.50  LDD1781 
Dihydrofolate reductase (DHFR) LDTP01769 6.50  LDD1781 
Epoxide hydrolase 1 (EPHX1) LDTP02175 7.36  LDD1781 
Epoxide hydrolase 1 (EPHX1) LDTP02175 7.36  LDD1781 
Exonuclease 1 (EXO1) LDTP13751 5.58  LDD1781 
Exonuclease 1 (EXO1) LDTP13751 5.58  LDD1781 
Glycerol-3-phosphate acyltransferase 1, mitochondrial (GPAM) LDTP12253 5.90  LDD1781 
Glycerol-3-phosphate acyltransferase 1, mitochondrial (GPAM) LDTP12253 5.90  LDD1781 
Heme oxygenase 1 (HMOX1) LDTP02359 5.21  LDD1781 
Heme oxygenase 1 (HMOX1) LDTP02359 5.21  LDD1781 
Heme oxygenase 2 (HMOX2) LDTP03540 16.22  LDD1781 
Heme oxygenase 2 (HMOX2) LDTP03540 16.22  LDD1781 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 5.03  LDD1781 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 5.03  LDD1781 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 5.13  LDD1781 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 5.13  LDD1781 
L-2-hydroxyglutarate dehydrogenase, mitochondrial (L2HGDH) LDTP12105 13.18  LDD1781 
L-2-hydroxyglutarate dehydrogenase, mitochondrial (L2HGDH) LDTP12105 13.18  LDD1781 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 8.06  LDD1781 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 8.06  LDD1781 
Lysine-specific histone demethylase 2 (KDM1B) LDTP09043 11.00  LDD1781 
Lysine-specific histone demethylase 2 (KDM1B) LDTP09043 11.00  LDD1781 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 10.48  LDD1781 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 10.48  LDD1781 
Macrophage migration inhibitory factor (MIF) LDTP02713 12.73  LDD1781 
Macrophage migration inhibitory factor (MIF) LDTP02713 12.73  LDD1781 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 8.82  LDD1781 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 8.82  LDD1781 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 25.99  LDD1781 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 25.99  LDD1781 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 9.71  LDD1781 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 9.71  LDD1781 
Prolyl 3-hydroxylase 1 (P3H1) LDTP06750 5.74  LDD1781 
Prolyl 3-hydroxylase 1 (P3H1) LDTP06750 5.74  LDD1781 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 7.26  LDD1781 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 7.26  LDD1781 
Proteasome subunit beta type-4 (PSMB4) LDTP03417 7.46  LDD1781 
Proteasome subunit beta type-4 (PSMB4) LDTP03417 7.46  LDD1781 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 9.71  LDD1781 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 9.71  LDD1781 
Signal peptidase complex catalytic subunit SEC11A (SEC11A) LDTP05066 8.82  LDD1781 
Signal peptidase complex catalytic subunit SEC11A (SEC11A) LDTP05066 8.82  LDD1781 
Thioredoxin-like protein 1 (TXNL1) LDTP00758 4.92  LDD1781 
Thioredoxin-like protein 1 (TXNL1) LDTP00758 4.92  LDD1781 
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⏷ Show the Full List of 52 Enzyme
28 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 7.11  LDD1781 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 7.11  LDD1781 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 6.50  LDD1781 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 6.50  LDD1781 
Metaxin-1 (MTX1) LDTP05900 5.86  LDD1781 
Metaxin-1 (MTX1) LDTP05900 5.86  LDD1781 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 7.67  LDD1781 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 7.67  LDD1781 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 5.54  LDD1781 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 5.54  LDD1781 
Mpv17-like protein 2 (MPV17L2) LDTP14952 5.66  LDD1781 
Mpv17-like protein 2 (MPV17L2) LDTP14952 5.66  LDD1781 
Protein GPR107 (GPR107) LDTP07236 5.35  LDD1781 
Protein GPR107 (GPR107) LDTP07236 5.35  LDD1781 
Protein spinster homolog 1 (SPNS1) LDTP11844 5.50  LDD1781 
Protein spinster homolog 1 (SPNS1) LDTP11844 5.50  LDD1781 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 8.94  LDD1781 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 8.94  LDD1781 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 4.96  LDD1781 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 4.96  LDD1781 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.50  LDD1781 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.50  LDD1781 
Tetraspanin-3 (TSPAN3) LDTP16813 7.31  LDD1781 
Tetraspanin-3 (TSPAN3) LDTP16813 7.31  LDD1781 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 7.41  LDD1781 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 7.41  LDD1781 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 10.48  LDD1781 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 10.48  LDD1781 
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⏷ Show the Full List of 28 Transporter and channel
20 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 10.70  LDD1781 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 10.70  LDD1781 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 7.67  LDD1781 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 7.67  LDD1781 
HAUS augmin-like complex subunit 4 (HAUS4) LDTP11978 7.57  LDD1781 
HAUS augmin-like complex subunit 4 (HAUS4) LDTP11978 7.57  LDD1781 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 13.36  LDD1781 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 13.36  LDD1781 
Neuferricin (CYB5D2) LDTP15623 10.27  LDD1781 
Neuferricin (CYB5D2) LDTP15623 10.27  LDD1781 
Nucleobindin-1 (NUCB1) LDTP05375 4.92  LDD1781 
Nucleobindin-1 (NUCB1) LDTP05375 4.92  LDD1781 
Nucleobindin-2 (NUCB2) LDTP05160 4.96  LDD1781 
Nucleobindin-2 (NUCB2) LDTP05160 4.96  LDD1781 
Protein CutA (CUTA) LDTP01075 6.87  LDD1781 
Protein CutA (CUTA) LDTP01075 6.87  LDD1781 
Tetraspanin-6 (TSPAN6) LDTP14458 8.11  LDD1781 
Tetraspanin-6 (TSPAN6) LDTP14458 8.11  LDD1781 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 5.82  LDD1781 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 5.82  LDD1781 
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⏷ Show the Full List of 20 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
 LDD1781 
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