Details of the Probe

General Information of Probe

Probe ID
LDPC0449
Probe Name
C215
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 327.384
Lipid-water partition coefficient (xlogp) 2.2539
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C18H21N3O3
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2c([H])c([H])c(C3(OC([H])([H])[H])C([H])([H])OC3([H])[H])c([H])c2[H])N=N1
InChI
InChI=1S/C18H21N3O3/c1-3-4-9-18(20-21-18)10-11-19-16(22)14-5-7-15(8-6-14)17(23-2)12-24-13-17/h1,5-8H,4,9-13H2,2H3,(H,19,22)
InChIKey
TYRYJKDXUMTZEA-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
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 7.16  LDD1889 
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 7.16  LDD1889 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 5.03  LDD1889 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 5.03  LDD1889 
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1) LDTP05724 6.96  LDD1889 
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1) LDTP05724 6.96  LDD1889 
Endoplasmic reticulum metallopeptidase 1 (ERMP1) LDTP08017 6.45  LDD1889 
Endoplasmic reticulum metallopeptidase 1 (ERMP1) LDTP08017 6.45  LDD1889 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 5.46  LDD1889 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 5.46  LDD1889 
Glycerol-3-phosphate acyltransferase 1, mitochondrial (GPAM) LDTP12253 12.73  LDD1889 
Glycerol-3-phosphate acyltransferase 1, mitochondrial (GPAM) LDTP12253 12.73  LDD1889 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 11.00  LDD1889 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 11.00  LDD1889 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 10.56  LDD1889 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 10.56  LDD1889 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 4.96  LDD1889 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 4.96  LDD1889 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 7.41  LDD1889 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 7.41  LDD1889 
Nardilysin (NRDC) LDTP00886 5.03  LDD1889 
Nardilysin (NRDC) LDTP00886 5.03  LDD1889 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 13.00  LDD1889 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 13.00  LDD1889 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 4.92  LDD1889 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 4.92  LDD1889 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 8.17  LDD1889 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 8.17  LDD1889 
Squalene synthase (FDFT1) LDTP03842 5.82  LDD1889 
Squalene synthase (FDFT1) LDTP03842 5.82  LDD1889 
Succinate-semialdehyde dehydrogenase, mitochondrial (ALDH5A1) LDTP04438 7.01  LDD1889 
Succinate-semialdehyde dehydrogenase, mitochondrial (ALDH5A1) LDTP04438 7.01  LDD1889 
Thimet oligopeptidase (THOP1) LDTP04542 7.06  LDD1889 
Thimet oligopeptidase (THOP1) LDTP04542 7.06  LDD1889 
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⏷ Show the Full List of 34 Enzyme
30 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
BRI3-binding protein (BRI3BP) LDTP15648 6.32  LDD1889 
BRI3-binding protein (BRI3BP) LDTP15648 6.32  LDD1889 
Cation-dependent mannose-6-phosphate receptor (M6PR) LDTP03061 5.06  LDD1889 
Cation-dependent mannose-6-phosphate receptor (M6PR) LDTP03061 5.06  LDD1889 
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 9.32  LDD1889 
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 9.32  LDD1889 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 8.22  LDD1889 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 8.22  LDD1889 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 10.41  LDD1889 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 10.41  LDD1889 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 8.82  LDD1889 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 8.82  LDD1889 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 5.03  LDD1889 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 5.03  LDD1889 
Protein GPR107 (GPR107) LDTP07236 6.73  LDD1889 
Protein GPR107 (GPR107) LDTP07236 6.73  LDD1889 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 6.50  LDD1889 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 6.50  LDD1889 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 7.89  LDD1889 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 7.89  LDD1889 
STARD3 N-terminal-like protein (STARD3NL) LDTP01671 5.03  LDD1889 
STARD3 N-terminal-like protein (STARD3NL) LDTP01671 5.03  LDD1889 
Sugar transporter SWEET1 (SLC50A1) LDTP11136 7.16  LDD1889 
Sugar transporter SWEET1 (SLC50A1) LDTP11136 7.16  LDD1889 
Transmembrane protein 199 (TMEM199) LDTP08881 5.06  LDD1889 
Transmembrane protein 199 (TMEM199) LDTP08881 5.06  LDD1889 
Transmembrane protein 205 (TMEM205) LDTP07667 99.73  LDD1889 
Transmembrane protein 205 (TMEM205) LDTP07667 99.73  LDD1889 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 9.06  LDD1889 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 9.06  LDD1889 
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⏷ Show the Full List of 30 Transporter and channel
22 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
C-type mannose receptor 2 (MRC2) LDTP13114 5.74  LDD1889 
C-type mannose receptor 2 (MRC2) LDTP13114 5.74  LDD1889 
Clustered mitochondria protein homolog (CLUH) LDTP14486 5.94  LDD1889 
Clustered mitochondria protein homolog (CLUH) LDTP14486 5.94  LDD1889 
HAUS augmin-like complex subunit 4 (HAUS4) LDTP11978 9.92  LDD1889 
HAUS augmin-like complex subunit 4 (HAUS4) LDTP11978 9.92  LDD1889 
Kinetochore-associated protein 1 (KNTC1) LDTP04382 16.00  LDD1889 
Kinetochore-associated protein 1 (KNTC1) LDTP04382 16.00  LDD1889 
Large proline-rich protein BAG6 (BAG6) LDTP04094 13.09  LDD1889 
Large proline-rich protein BAG6 (BAG6) LDTP04094 13.09  LDD1889 
Neuferricin (CYB5D2) LDTP15623 13.18  LDD1889 
Neuferricin (CYB5D2) LDTP15623 13.18  LDD1889 
Oxysterol-binding protein-related protein 6 (OSBPL6) LDTP11533 11.88  LDD1889 
Oxysterol-binding protein-related protein 6 (OSBPL6) LDTP11533 11.88  LDD1889 
Protein unc-119 homolog A (UNC119) LDTP05868 22.32  LDD1889 
Protein unc-119 homolog A (UNC119) LDTP05868 22.32  LDD1889 
Protein unc-119 homolog B (UNC119B) LDTP00105 8.75  LDD1889 
Protein unc-119 homolog B (UNC119B) LDTP00105 8.75  LDD1889 
Rab9 effector protein with kelch motifs (RABEPK) LDTP08130 6.11  LDD1889 
Rab9 effector protein with kelch motifs (RABEPK) LDTP08130 6.11  LDD1889 
TraB domain-containing protein (TRABD) LDTP19963 5.98  LDD1889 
TraB domain-containing protein (TRABD) LDTP19963 5.98  LDD1889 
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⏷ Show the Full List of 22 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
 LDD1889 
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