Details of the Probe

General Information of Probe

Probe ID
LDPC0317
Probe Name
C060
Synonyms
Z4282859901
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 343.5
Lipid-water partition coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C20H29N3O2
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-[(3-methoxy-1-adamantyl)methyl]propanamide
Canonical SMILES
COC12CC3CC(C1)CC(C3)(C2)CNC(=O)CCC4(N=N4)CCC#C
InChI
InChI=1S/C20H29N3O2/c1-3-4-6-20(22-23-20)7-5-17(24)21-14-18-9-15-8-16(10-18)12-19(11-15,13-18)25-2/h1,15-16H,4-14H2,2H3,(H,21,24)
InChIKey
PRXNGBKMAXRTHZ-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

19 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Choline kinase alpha (CHKA) LDTP03787 5.06  LDD1757 
Cytochrome b5 type B (CYB5B) LDTP00697 5.13  LDD1757 
Dihydrofolate reductase (DHFR) LDTP01769 6.59  LDD1757 
Epoxide hydrolase 1 (EPHX1) LDTP02175 12.04  LDD1757 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 6.73  LDD1757 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 8.22  LDD1757 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 8.51  LDD1757 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 14.93  LDD1757 
Lysine-specific histone demethylase 2 (KDM1B) LDTP09043 6.36  LDD1757 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 5.35  LDD1757 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.13  LDD1757 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 7.46  LDD1757 
Peroxisomal N(1)-acetyl-spermine/spermidine oxidase (PAOX) LDTP07620 6.82  LDD1757 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 15.24  LDD1757 
Prolyl 3-hydroxylase 1 (P3H1) LDTP06750 5.74  LDD1757 
Prostaglandin reductase 3 (PTGR3) LDTP15422 35.26  LDD1757 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 7.89  LDD1757 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 6.19  LDD1757 
Squalene synthase (FDFT1) LDTP03842 7.36  LDD1757 
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⏷ Show the Full List of 19 Enzyme
15 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 7.89  LDD1757 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 7.62  LDD1757 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 6.96  LDD1757 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 22.32  LDD1757 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 8.69  LDD1757 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 11.16  LDD1757 
Protein GPR107 (GPR107) LDTP07236 11.00  LDD1757 
Proton-coupled amino acid transporter 1 (SLC36A1) LDTP08016 5.70  LDD1757 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 7.52  LDD1757 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 6.32  LDD1757 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.62  LDD1757 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 5.86  LDD1757 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 6.59  LDD1757 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 10.85  LDD1757 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 9.78  LDD1757 
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⏷ Show the Full List of 15 Transporter and channel
14 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 5.28  LDD1757 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 7.01  LDD1757 
Clustered mitochondria protein homolog (CLUH) LDTP14486 10.56  LDD1757 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 14.52  LDD1757 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 5.86  LDD1757 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 32.90  LDD1757 
Negative elongation factor C/D (NELFCD) LDTP08594 4.99  LDD1757 
Neuferricin (CYB5D2) LDTP15623 8.82  LDD1757 
Nucleobindin-1 (NUCB1) LDTP05375 9.06  LDD1757 
Nucleobindin-2 (NUCB2) LDTP05160 12.47  LDD1757 
Optic atrophy 3 protein (OPA3) LDTP16006 4.99  LDD1757 
Protein FAM114A2 (FAM114A2) LDTP16080 6.36  LDD1757 
Protein unc-119 homolog B (UNC119B) LDTP00105 6.68  LDD1757 
Transmembrane protein 209 (TMEM209) LDTP18272 5.21  LDD1757 
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⏷ Show the Full List of 14 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
 LDD1757 
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