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

26 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 6.36  LDD1781 
Adenosine deaminase (ADA) LDTP01803 8.46  LDD1781 
Choline kinase alpha (CHKA) LDTP03787 14.72  LDD1781 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 8.69  LDD1781 
Dihydrofolate reductase (DHFR) LDTP01769 6.50  LDD1781 
Epoxide hydrolase 1 (EPHX1) LDTP02175 7.36  LDD1781 
Exonuclease 1 (EXO1) LDTP13751 5.58  LDD1781 
Glycerol-3-phosphate acyltransferase 1, mitochondrial (GPAM) LDTP12253 5.90  LDD1781 
Heme oxygenase 1 (HMOX1) LDTP02359 5.21  LDD1781 
Heme oxygenase 2 (HMOX2) LDTP03540 16.22  LDD1781 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 5.03  LDD1781 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 5.13  LDD1781 
L-2-hydroxyglutarate dehydrogenase, mitochondrial (L2HGDH) LDTP12105 13.18  LDD1781 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 8.06  LDD1781 
Lysine-specific histone demethylase 2 (KDM1B) LDTP09043 11.00  LDD1781 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 10.48  LDD1781 
Macrophage migration inhibitory factor (MIF) LDTP02713 12.73  LDD1781 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 8.82  LDD1781 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 25.99  LDD1781 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 9.71  LDD1781 
Prolyl 3-hydroxylase 1 (P3H1) LDTP06750 5.74  LDD1781 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 7.26  LDD1781 
Proteasome subunit beta type-4 (PSMB4) LDTP03417 7.46  LDD1781 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 9.71  LDD1781 
Signal peptidase complex catalytic subunit SEC11A (SEC11A) LDTP05066 8.82  LDD1781 
Thioredoxin-like protein 1 (TXNL1) LDTP00758 4.92  LDD1781 
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⏷ Show the Full List of 26 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 7.11  LDD1781 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 6.50  LDD1781 
Metaxin-1 (MTX1) LDTP05900 5.86  LDD1781 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 7.67  LDD1781 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 5.54  LDD1781 
Mpv17-like protein 2 (MPV17L2) LDTP14952 5.66  LDD1781 
Protein GPR107 (GPR107) LDTP07236 5.35  LDD1781 
Protein spinster homolog 1 (SPNS1) LDTP11844 5.50  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 35 member F2 (SLC35F2) LDTP17641 5.50  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 2 (VDAC2) LDTP04071 10.48  LDD1781 
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⏷ Show the Full List of 14 Transporter and channel
10 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 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 7.67  LDD1781 
HAUS augmin-like complex subunit 4 (HAUS4) LDTP11978 7.57  LDD1781 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 13.36  LDD1781 
Neuferricin (CYB5D2) LDTP15623 10.27  LDD1781 
Nucleobindin-1 (NUCB1) LDTP05375 4.92  LDD1781 
Nucleobindin-2 (NUCB2) LDTP05160 4.96  LDD1781 
Protein CutA (CUTA) LDTP01075 6.87  LDD1781 
Tetraspanin-6 (TSPAN6) LDTP14458 8.11  LDD1781 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 5.82  LDD1781 
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⏷ Show the Full List of 10 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