Details of the Probe

General Information of Probe

Probe ID
LDPC0625
Probe Name
C408
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 338.411
Lipid-water partition coefficient (xlogp) 2.42972
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H22N4O2
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C2([H])C(=O)N(c3c([H])c([H])c(C([H])([H])[H])c([H])c3[H])C([H])([H])C2([H])[H])N=N1
InChI
InChI=1S/C19H22N4O2/c1-3-4-10-19(21-22-19)11-12-20-17(24)16-9-13-23(18(16)25)15-7-5-14(2)6-8-15/h1,5-8,16H,4,9-13H2,2H3,(H,20,24)/t16-/m0/s1
InChIKey
CQJYOJMZSZNLOE-INIZCTEOSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

31 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 5.39  LDD2065 
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 4.96  LDD2065 
Acid ceramidase (ASAH1) LDTP05905 5.43  LDD2065 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 11.08  LDD2065 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 5.43  LDD2065 
Ceramide glucosyltransferase (UGCG) LDTP06617 8.34  LDD2065 
Delta(14)-sterol reductase LBR (LBR) LDTP06200 7.46  LDD2065 
Delta(24)-sterol reductase (DHCR24) LDTP06375 6.15  LDD2065 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 6.19  LDD2065 
Epoxide hydrolase 1 (EPHX1) LDTP02175 7.57  LDD2065 
Ferrochelatase, mitochondrial (FECH) LDTP03198 11.31  LDD2065 
Glyoxalase domain-containing protein 4 (GLOD4) LDTP16040 5.24  LDD2065 
Heme oxygenase 1 (HMOX1) LDTP02359 5.31  LDD2065 
Heme oxygenase 2 (HMOX2) LDTP03540 14.32  LDD2065 
Histone-lysine N-methyltransferase 2A (KMT2A) LDTP05396 8.51  LDD2065 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 20.68  LDD2065 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 5.98  LDD2065 
Lysosomal acid glucosylceramidase (GBA1) LDTP02005 5.90  LDD2065 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 9.06  LDD2065 
Lysosomal protective protein (CTSA) LDTP02505 5.13  LDD2065 
Methionine aminopeptidase 1 (METAP1) LDTP04565 6.06  LDD2065 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 7.84  LDD2065 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 9.92  LDD2065 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 6.41  LDD2065 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 6.59  LDD2065 
Prostaglandin reductase 3 (PTGR3) LDTP15422 14.42  LDD2065 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 5.10  LDD2065 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 5.50  LDD2065 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 6.92  LDD2065 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 5.86  LDD2065 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 5.43  LDD2065 
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⏷ Show the Full List of 31 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 10.56  LDD2065 
Lysosome membrane protein 2 (SCARB2) LDTP06034 8.00  LDD2065 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 28.05  LDD2065 
Mitochondrial import inner membrane translocase subunit Tim22 (TIMM22) LDTP14099 6.82  LDD2065 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 7.84  LDD2065 
Protein GPR108 (GPR108) LDTP12383 6.77  LDD2065 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 7.41  LDD2065 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 11.39  LDD2065 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 11.55  LDD2065 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 6.15  LDD2065 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 6.73  LDD2065 
Transmembrane protein 160 (TMEM160) LDTP20002 6.73  LDD2065 
Transmembrane protein 199 (TMEM199) LDTP08881 9.32  LDD2065 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 5.94  LDD2065 
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⏷ Show the Full List of 14 Transporter and channel
13 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 10.85  LDD2065 
Clustered mitochondria protein homolog (CLUH) LDTP14486 10.34  LDD2065 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 16.68  LDD2065 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 17.27  LDD2065 
Large ribosomal subunit protein uL24 (RPL26) LDTP04914 6.06  LDD2065 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 5.21  LDD2065 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 16.11  LDD2065 
Nucleobindin-1 (NUCB1) LDTP05375 9.92  LDD2065 
Nucleobindin-2 (NUCB2) LDTP05160 7.52  LDD2065 
Protein FAM162A (FAM162A) LDTP10056 6.15  LDD2065 
Reticulon-3 (RTN3) LDTP01522 5.54  LDD2065 
Synaptic vesicle glycoprotein 2A (SV2A) LDTP07934 7.41  LDD2065 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 7.26  LDD2065 
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⏷ Show the Full List of 13 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
 LDD2065 
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