Details of the Probe

General Information of Probe

Probe ID
LDPC0626
Probe Name
C409
Synonyms
CHEMBL4963974;AKOS034063405
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 348.4
Lipid-water partition coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C21H24N4O
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)propan-1-one
Canonical SMILES
CC1=NC2=CC=CC=C2C13CCN(CC3)C(=O)CCC4(N=N4)CCC#C
InChI
InChI=1S/C21H24N4O/c1-3-4-10-21(23-24-21)11-9-19(26)25-14-12-20(13-15-25)16(2)22-18-8-6-5-7-17(18)20/h1,5-8H,4,9-15H2,2H3
InChIKey
FRZZIWHZOROLLQ-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

41 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 5.03  LDD2066 
Aldehyde dehydrogenase family 3 member A2 (ALDH3A2) LDTP04437 4.96  LDD2066 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 9.71  LDD2066 
Ceramide glucosyltransferase (UGCG) LDTP06617 6.59  LDD2066 
Cytochrome b-c1 complex subunit 8 (UQCRQ) LDTP00486 5.50  LDD2066 
Cytochrome b5 type B (CYB5B) LDTP00697 5.54  LDD2066 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 7.57  LDD2066 
Delta(24)-sterol reductase (DHCR24) LDTP06375 4.99  LDD2066 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 8.17  LDD2066 
Epoxide hydrolase 1 (EPHX1) LDTP02175 8.22  LDD2066 
Ferrochelatase, mitochondrial (FECH) LDTP03198 5.03  LDD2066 
Heme oxygenase 2 (HMOX2) LDTP03540 8.57  LDD2066 
Inactive hydroxysteroid dehydrogenase-like protein 1 (HSDL1) LDTP06787 5.21  LDD2066 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 14.42  LDD2066 
Methionine aminopeptidase 1 (METAP1) LDTP04565 4.99  LDD2066 
Methylsterol monooxygenase 1 (MSMO1) LDTP06477 6.11  LDD2066 
N-acylneuraminate cytidylyltransferase (CMAS) LDTP09228 4.92  LDD2066 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 7.21  LDD2066 
NADH dehydrogenase 1 alpha subcomplex subunit 13 (NDUFA13) LDTP12959 7.46  LDD2066 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 7.01  LDD2066 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 20.53  LDD2066 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 4.92  LDD2066 
Peptidyl-prolyl cis-trans isomerase FKBP14 (FKBP14) LDTP12720 5.13  LDD2066 
Peroxisomal acyl-coenzyme A oxidase 1 (ACOX1) LDTP06307 5.90  LDD2066 
Peroxisomal bifunctional enzyme (EHHADH) LDTP05560 5.43  LDD2066 
Polypeptide N-acetylgalactosaminyltransferase 4 (GALNT4) LDTP08859 6.32  LDD2066 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 11.47  LDD2066 
Prostaglandin E synthase 2 (PTGES2) LDTP12040 7.36  LDD2066 
Prostaglandin reductase 1 (PTGR1) LDTP06227 4.99  LDD2066 
Prostaglandin reductase 3 (PTGR3) LDTP15422 12.82  LDD2066 
Protein phosphatase methylesterase 1 (PPME1) LDTP14092 7.67  LDD2066 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 7.11  LDD2066 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 5.58  LDD2066 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 7.26  LDD2066 
Signal peptidase complex catalytic subunit SEC11A (SEC11A) LDTP05066 8.75  LDD2066 
Sphingosine-1-phosphate lyase 1 (SGPL1) LDTP01613 7.31  LDD2066 
Sterol O-acyltransferase 1 (SOAT1) LDTP03769 5.35  LDD2066 
Thioredoxin domain-containing protein 16 (TXNDC16) LDTP13058 6.23  LDD2066 
Ubiquitin carboxyl-terminal hydrolase 11 (USP11) LDTP04456 6.28  LDD2066 
Ubiquitin-like-conjugating enzyme ATG3 (ATG3) LDTP12599 5.78  LDD2066 
Vitamin K epoxide reductase complex subunit 1-like protein 1 (VKORC1L1) LDTP08728 5.17  LDD2066 
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⏷ Show the Full List of 41 Enzyme
27 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Acetyl-coenzyme A transporter 1 (SLC33A1) LDTP00262 6.63  LDD2066 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 5.66  LDD2066 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 19.84  LDD2066 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 11.00  LDD2066 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.66  LDD2066 
Mitochondrial carrier homolog 2 (MTCH2) LDTP14235 7.84  LDD2066 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 6.28  LDD2066 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 49.18  LDD2066 
Mitochondrial import inner membrane translocase subunit Tim22 (TIMM22) LDTP14099 11.63  LDD2066 
Mitochondrial inner membrane protein OXA1L (OXA1L) LDTP06308 6.41  LDD2066 
Mitochondrial ornithine transporter 1 (SLC25A15) LDTP14200 5.98  LDD2066 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 6.02  LDD2066 
Nucleoporin NDC1 (NDC1) LDTP11213 5.98  LDD2066 
Protein GPR107 (GPR107) LDTP07236 5.46  LDD2066 
Protein GPR108 (GPR108) LDTP12383 6.15  LDD2066 
Putative lipid scramblase CLPTM1 (CLPTM1) LDTP01745 8.69  LDD2066 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 25.28  LDD2066 
Surfeit locus protein 4 (SURF4) LDTP00592 5.98  LDD2066 
THO complex subunit 5 homolog (THOC5) LDTP05978 5.70  LDD2066 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 8.88  LDD2066 
Translocator protein (TSPO) LDTP03546 5.17  LDD2066 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 5.28  LDD2066 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 8.57  LDD2066 
Transmembrane protein 160 (TMEM160) LDTP20002 10.78  LDD2066 
Transmembrane protein 199 (TMEM199) LDTP08881 22.16  LDD2066 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 9.85  LDD2066 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 6.15  LDD2066 
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⏷ Show the Full List of 27 Transporter and channel
34 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Actin-related protein 2/3 complex subunit 1A (ARPC1A) LDTP15664 5.62  LDD2066 
AH receptor-interacting protein (AIP) LDTP00202 5.58  LDD2066 
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 7.57  LDD2066 
Apolipoprotein L2 (APOL2) LDTP11076 22.94  LDD2066 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 5.74  LDD2066 
CCR4-NOT transcription complex subunit 2 (CNOT2) LDTP12925 5.70  LDD2066 
Clustered mitochondria protein homolog (CLUH) LDTP14486 6.96  LDD2066 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 12.21  LDD2066 
Gem-associated protein 8 (GEMIN8) LDTP12746 5.21  LDD2066 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 14.12  LDD2066 
Heterogeneous nuclear ribonucleoprotein L-like (HNRNPLL) LDTP09626 6.36  LDD2066 
KIF-binding protein (KIFBP) LDTP10263 5.13  LDD2066 
Lamina-associated polypeptide 2, isoform alpha (TMPO) LDTP03967 5.28  LDD2066 
Large ribosomal subunit protein mL64 (GADD45GIP1) LDTP09297 13.45  LDD2066 
Large ribosomal subunit protein uL24 (RPL26) LDTP04914 7.26  LDD2066 
Mitochondrial fission process protein 1 (MTFP1) LDTP16192 5.66  LDD2066 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 19.70  LDD2066 
Negative elongation factor C/D (NELFCD) LDTP08594 9.06  LDD2066 
Nucleobindin-1 (NUCB1) LDTP05375 5.70  LDD2066 
Nucleobindin-2 (NUCB2) LDTP05160 12.55  LDD2066 
Poly(U)-binding-splicing factor PUF60 (PUF60) LDTP13311 5.66  LDD2066 
Protein CEBPZOS (CEBPZOS) LDTP18883 13.18  LDD2066 
Protein FAM114A2 (FAM114A2) LDTP16080 5.98  LDD2066 
Protein FAM162A (FAM162A) LDTP10056 10.63  LDD2066 
Protein FAM3C (FAM3C) LDTP09773 5.28  LDD2066 
Protein Hikeshi (HIKESHI) LDTP06892 5.50  LDD2066 
Reticulon-3 (RTN3) LDTP01522 5.66  LDD2066 
Reticulon-4 (RTN4) LDTP12412 5.39  LDD2066 
RNA-binding protein Musashi homolog 1 (MSI1) LDTP14453 5.13  LDD2066 
Small ribosomal subunit protein eS12 (RPS12) LDTP03321 6.36  LDD2066 
Small ribosomal subunit protein uS14 (RPS29) LDTP04973 5.43  LDD2066 
Superkiller complex protein 3 (SKIC3) LDTP07574 7.26  LDD2066 
Synaptic vesicle glycoprotein 2A (SV2A) LDTP07934 5.31  LDD2066 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 11.39  LDD2066 
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⏷ Show the Full List of 34 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
 LDD2066 
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