Details of the Probe

General Information of Probe

Probe ID
LDPC0527
Probe Name
C297
Synonyms
Z4225931125
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 321.4
Lipid-water partition coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C18H19N5O
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
Canonical SMILES
C#CCCC1(N=N1)CCNC(=O)C2=CC=CN2CC3=CN=CC=C3
InChI
InChI=1S/C18H19N5O/c1-2-3-8-18(21-22-18)9-11-20-17(24)16-7-5-12-23(16)14-15-6-4-10-19-13-15/h1,4-7,10,12-13H,3,8-9,11,14H2,(H,20,24)
InChIKey
CKRXAZGTCGLTPG-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

35 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5'-3' exonuclease PLD3 (PLD3) LDTP08476 8.22  LDD1967 
Adenosine deaminase (ADA) LDTP01803 14.32  LDD1967 
ATP-dependent translocase ABCB1 (ABCB1) LDTP02254 5.28  LDD1967 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 5.86  LDD1967 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 7.89  LDD1967 
Delta(24)-sterol reductase (DHCR24) LDTP06375 14.83  LDD1967 
Dihydrofolate reductase (DHFR) LDTP01769 16.34  LDD1967 
Dolichyldiphosphatase 1 (DOLPP1) LDTP15328 6.92  LDD1967 
E3 ubiquitin-protein ligase RNF14 (RNF14) LDTP13154 5.46  LDD1967 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 7.21  LDD1967 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 5.17  LDD1967 
Ethanolamine kinase 1 (ETNK1) LDTP12197 7.67  LDD1967 
Heme oxygenase 2 (HMOX2) LDTP03540 4.99  LDD1967 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 10.34  LDD1967 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 6.59  LDD1967 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 10.06  LDD1967 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 7.52  LDD1967 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 9.32  LDD1967 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 5.66  LDD1967 
NAD-capped RNA hydrolase NUDT12 (NUDT12) LDTP11081 8.94  LDD1967 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 6.06  LDD1967 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 7.36  LDD1967 
Peptidyl-prolyl cis-trans isomerase FKBP1A (FKBP1A) LDTP05029 12.04  LDD1967 
Peptidyl-prolyl cis-trans isomerase FKBP2 (FKBP2) LDTP03374 7.41  LDD1967 
Phospholipase A2 group XV (PLA2G15) LDTP09088 11.16  LDD1967 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 11.88  LDD1967 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 16.45  LDD1967 
Prolyl endopeptidase-like (PREPL) LDTP06849 5.62  LDD1967 
Protein O-GlcNAcase (OGA) LDTP00988 6.45  LDD1967 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 21.41  LDD1967 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 6.59  LDD1967 
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (PDE6D) LDTP00907 9.25  LDD1967 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 18.64  LDD1967 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 13.00  LDD1967 
Squalene synthase (FDFT1) LDTP03842 6.19  LDD1967 
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⏷ Show the Full List of 35 Enzyme
22 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Acetyl-coenzyme A transporter 1 (SLC33A1) LDTP00262 9.99  LDD1967 
ATP synthase subunit a (MT-ATP6) LDTP01804 16.22  LDD1967 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 20.39  LDD1967 
Lysosome membrane protein 2 (SCARB2) LDTP06034 6.23  LDD1967 
MFS-type transporter SLC18B1 (SLC18B1) LDTP07462 5.58  LDD1967 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 6.87  LDD1967 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 8.69  LDD1967 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 12.82  LDD1967 
Mitochondrial import inner membrane translocase subunit Tim22 (TIMM22) LDTP14099 4.92  LDD1967 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 7.73  LDD1967 
Monocarboxylate transporter 1 (SLC16A1) LDTP04592 8.88  LDD1967 
Mpv17-like protein 2 (MPV17L2) LDTP14952 8.00  LDD1967 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 20.39  LDD1967 
Protein GPR107 (GPR107) LDTP07236 8.94  LDD1967 
Protein wntless homolog (WLS) LDTP07156 7.52  LDD1967 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 7.16  LDD1967 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 5.10  LDD1967 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 5.03  LDD1967 
Signal recognition particle subunit SRP68 (SRP68) LDTP13262 9.92  LDD1967 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 6.63  LDD1967 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 11.88  LDD1967 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 11.63  LDD1967 
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⏷ Show the Full List of 22 Transporter and channel
18 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 6.50  LDD1967 
Apolipoprotein L2 (APOL2) LDTP11076 6.87  LDD1967 
EF-hand calcium-binding domain-containing protein 14 (EFCAB14) LDTP19021 5.78  LDD1967 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 9.51  LDD1967 
Eukaryotic translation initiation factor 5 (EIF5) LDTP04652 6.06  LDD1967 
Hepatoma-derived growth factor (HDGF) LDTP04483 6.45  LDD1967 
Hepatoma-derived growth factor-related protein 2 (HDGFL2) LDTP08081 11.47  LDD1967 
Large proline-rich protein BAG6 (BAG6) LDTP04094 11.55  LDD1967 
Mdm2-binding protein (MTBP) LDTP15714 6.02  LDD1967 
Microtubule nucleation factor SSNA1 (SSNA1) LDTP00871 7.11  LDD1967 
Nucleobindin-2 (NUCB2) LDTP05160 4.92  LDD1967 
Polyadenylate-binding protein-interacting protein 2 (PAIP2) LDTP11044 5.98  LDD1967 
Protein CEBPZOS (CEBPZOS) LDTP18883 5.13  LDD1967 
Protein unc-119 homolog B (UNC119B) LDTP00105 7.52  LDD1967 
Rap guanine nucleotide exchange factor 2 (RAPGEF2) LDTP14058 7.94  LDD1967 
Retinol-binding protein 1 (RBP1) LDTP02345 5.54  LDD1967 
Synaptic vesicle glycoprotein 2A (SV2A) LDTP07934 5.31  LDD1967 
Tetraspanin-6 (TSPAN6) LDTP14458 8.63  LDD1967 
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⏷ Show the Full List of 18 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
 LDD1967 
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