Details of the Probe

General Information of Probe

Probe ID
LDPC0316
Probe Name
C059
Synonyms
Z4225961317
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) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C20H29N3O2
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-hydroxy-5,7-dimethyladamantane-1-carboxamide
Canonical SMILES
CC12CC3(CC(C1)(CC(C2)(C3)O)C(=O)NCCC4(N=N4)CCC#C)C
InChI
InChI=1S/C20H29N3O2/c1-4-5-6-20(22-23-20)7-8-21-15(24)18-10-16(2)9-17(3,11-18)13-19(25,12-16)14-18/h1,25H,5-14H2,2-3H3,(H,21,24)
InChIKey
ANVIOIPWLFOQMA-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

36 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 6.82  LDD1756 
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 99.73  LDD1756 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 6.23  LDD1756 
Carbohydrate sulfotransferase 14 (CHST14) LDTP09096 5.06  LDD1756 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 6.77  LDD1756 
Choline kinase alpha (CHKA) LDTP03787 19.84  LDD1756 
COP9 signalosome complex subunit 4 (COPS4) LDTP11187 5.39  LDD1756 
Cytochrome b-c1 complex subunit 8 (UQCRQ) LDTP00486 6.36  LDD1756 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 6.77  LDD1756 
Delta(24)-sterol reductase (DHCR24) LDTP06375 13.18  LDD1756 
Dihydrofolate reductase (DHFR) LDTP01769 74.03  LDD1756 
Endoplasmic reticulum aminopeptidase 1 (ERAP1) LDTP12868 7.73  LDD1756 
Endoplasmic reticulum protein SC65 (P3H4) LDTP09874 5.90  LDD1756 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 5.82  LDD1756 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 5.74  LDD1756 
Glutathione S-transferase A4 (GSTA4) LDTP00575 7.94  LDD1756 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 14.93  LDD1756 
Histone-arginine methyltransferase CARM1 (CARM1) LDTP08352 8.34  LDD1756 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 5.17  LDD1756 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 12.73  LDD1756 
N-alpha-acetyltransferase 40 (NAA40) LDTP08265 9.71  LDD1756 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 6.96  LDD1756 
Palmitoyltransferase ZDHHC13 (ZDHHC13) LDTP08455 6.96  LDD1756 
Peptidyl-prolyl cis-trans isomerase FKBP7 (FKBP7) LDTP14218 7.41  LDD1756 
Peroxisomal N(1)-acetyl-spermine/spermidine oxidase (PAOX) LDTP07620 7.06  LDD1756 
Phospholipase A2 group XV (PLA2G15) LDTP09088 9.13  LDD1756 
Polypeptide N-acetylgalactosaminyltransferase 4 (GALNT4) LDTP08859 8.28  LDD1756 
Proteasome subunit beta type-1 (PSMB1) LDTP03060 5.13  LDD1756 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 15.67  LDD1756 
Proteasome subunit beta type-4 (PSMB4) LDTP03417 9.58  LDD1756 
Proteasome subunit beta type-5 (PSMB5) LDTP03419 6.50  LDD1756 
Proteasome subunit beta type-6 (PSMB6) LDTP03418 5.62  LDD1756 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 6.02  LDD1756 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 16.00  LDD1756 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 10.48  LDD1756 
Transmembrane protein with metallophosphoesterase domain (TMPPE) LDTP07831 10.27  LDD1756 
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⏷ Show the Full List of 36 Enzyme
21 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP synthase subunit a (MT-ATP6) LDTP01804 7.21  LDD1756 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 5.31  LDD1756 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 21.71  LDD1756 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.86  LDD1756 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 21.26  LDD1756 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 19.29  LDD1756 
Mitochondrial ornithine transporter 1 (SLC25A15) LDTP14200 5.54  LDD1756 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 13.93  LDD1756 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 28.64  LDD1756 
Protein GPR107 (GPR107) LDTP07236 7.31  LDD1756 
Protein GPR108 (GPR108) LDTP12383 10.06  LDD1756 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 6.28  LDD1756 
STARD3 N-terminal-like protein (STARD3NL) LDTP01671 6.28  LDD1756 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 5.74  LDD1756 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 4.96  LDD1756 
Transmembrane protein 126A (TMEM126A) LDTP15948 5.21  LDD1756 
Transmembrane protein 160 (TMEM160) LDTP20002 7.31  LDD1756 
Transmembrane protein 199 (TMEM199) LDTP08881 6.96  LDD1756 
Transmembrane protein 87A (TMEM87A) LDTP15481 6.36  LDD1756 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 5.66  LDD1756 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 5.39  LDD1756 
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⏷ Show the Full List of 21 Transporter and channel
31 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 5.13  LDD1756 
Apolipoprotein L2 (APOL2) LDTP11076 8.17  LDD1756 
Bifunctional purine biosynthesis protein ATIC (ATIC) LDTP03612 5.35  LDD1756 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 11.16  LDD1756 
cAMP-dependent protein kinase type I-alpha regulatory subunit (PRKAR1A) LDTP02511 6.02  LDD1756 
Clustered mitochondria protein homolog (CLUH) LDTP14486 7.57  LDD1756 
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 5.10  LDD1756 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 22.16  LDD1756 
FHF complex subunit HOOK-interacting protein 2B (FHIP2B) LDTP17580 8.11  LDD1756 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 7.73  LDD1756 
HAUS augmin-like complex subunit 4 (HAUS4) LDTP11978 5.82  LDD1756 
Large proline-rich protein BAG6 (BAG6) LDTP04094 5.43  LDD1756 
Large ribosomal subunit protein mL55 (MRPL55) LDTP15269 18.13  LDD1756 
Mediator of RNA polymerase II transcription subunit 25 (MED25) LDTP07906 36.00  LDD1756 
Mitochondrial fission process protein 1 (MTFP1) LDTP16192 7.57  LDD1756 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 10.85  LDD1756 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 7.94  LDD1756 
Negative elongation factor E (NELFE) LDTP02960 5.39  LDD1756 
Neudesin (NENF) LDTP13630 5.31  LDD1756 
Neuferricin (CYB5D2) LDTP15623 11.71  LDD1756 
Nucleobindin-1 (NUCB1) LDTP05375 15.14  LDD1756 
Nucleobindin-2 (NUCB2) LDTP05160 23.59  LDD1756 
p53 and DNA damage-regulated protein 1 (PDRG1) LDTP16099 5.78  LDD1756 
Protein FAM114A2 (FAM114A2) LDTP16080 4.92  LDD1756 
Protein SET (SET) LDTP05277 4.99  LDD1756 
RAD50-interacting protein 1 (RINT1) LDTP07476 8.00  LDD1756 
Retinol-binding protein 1 (RBP1) LDTP02345 12.30  LDD1756 
SAGA-associated factor 29 (SGF29) LDTP10276 9.38  LDD1756 
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 10.20  LDD1756 
Tropomodulin-3 (TMOD3) LDTP18494 5.06  LDD1756 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 25.81  LDD1756 
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⏷ Show the Full List of 31 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
 LDD1756 
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