Details of the Probe

General Information of Probe

Probe ID
LDPC0501
Probe Name
C271
Synonyms
Z2866902784
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 389.5
Lipid-water partition coefficient (xlogp) 0.9
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C18H23N5O3S
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-[5-cyclopropyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]propanamide
Canonical SMILES
C#CCCC1(N=N1)CCC(=O)NC2=CC(=NN2C3CCS(=O)(=O)C3)C4CC4
InChI
InChI=1S/C18H23N5O3S/c1-2-3-8-18(21-22-18)9-6-17(24)19-16-11-15(13-4-5-13)20-23(16)14-7-10-27(25,26)12-14/h1,11,13-14H,3-10,12H2,(H,19,24)
InChIKey
YHQAGIVNOYGWCY-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

30 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5'-3' exonuclease PLD3 (PLD3) LDTP08476 14.93  LDD1941 
Antigen peptide transporter 1 (TAP1) LDTP05408 4.92  LDD1941 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 7.46  LDD1941 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 14.72  LDD1941 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 22.78  LDD1941 
Cytochrome b-c1 complex subunit 2, mitochondrial (UQCRC2) LDTP03189 6.45  LDD1941 
Cytochrome b-c1 complex subunit Rieske, mitochondrial (UQCRFS1) LDTP04144 7.16  LDD1941 
Cytochrome b5 type B (CYB5B) LDTP00697 7.62  LDD1941 
Cytochrome c oxidase subunit 2 (MT-CO2) LDTP01773 6.96  LDD1941 
Delta(24)-sterol reductase (DHCR24) LDTP06375 11.96  LDD1941 
Dolichyldiphosphatase 1 (DOLPP1) LDTP15328 5.13  LDD1941 
Epoxide hydrolase 1 (EPHX1) LDTP02175 5.21  LDD1941 
Exonuclease 1 (EXO1) LDTP13751 5.78  LDD1941 
Ferrochelatase, mitochondrial (FECH) LDTP03198 7.73  LDD1941 
Heme oxygenase 1 (HMOX1) LDTP02359 5.24  LDD1941 
Heme oxygenase 2 (HMOX2) LDTP03540 5.06  LDD1941 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 6.28  LDD1941 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 14.72  LDD1941 
Lysine-specific histone demethylase 2 (KDM1B) LDTP09043 9.32  LDD1941 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 8.17  LDD1941 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 7.41  LDD1941 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 5.17  LDD1941 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 9.25  LDD1941 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 6.11  LDD1941 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 8.28  LDD1941 
Protein O-GlcNAcase (OGA) LDTP00988 5.50  LDD1941 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 7.36  LDD1941 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 6.41  LDD1941 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 7.67  LDD1941 
Sepiapterin reductase (SPR) LDTP03730 4.92  LDD1941 
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⏷ Show the Full List of 30 Enzyme
14 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 9.32  LDD1941 
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 8.06  LDD1941 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 5.58  LDD1941 
Metaxin-1 (MTX1) LDTP05900 12.47  LDD1941 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.21  LDD1941 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 8.75  LDD1941 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 7.67  LDD1941 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 7.78  LDD1941 
Nucleoporin NDC1 (NDC1) LDTP11213 5.39  LDD1941 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 5.66  LDD1941 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 7.36  LDD1941 
Transmembrane protein 126A (TMEM126A) LDTP15948 5.78  LDD1941 
Transmembrane protein 160 (TMEM160) LDTP20002 6.59  LDD1941 
Transmembrane protein 199 (TMEM199) LDTP08881 5.62  LDD1941 
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⏷ Show the Full List of 14 Transporter and channel
12 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 5.70  LDD1941 
Apolipoprotein L2 (APOL2) LDTP11076 5.06  LDD1941 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 5.13  LDD1941 
Dymeclin (DYM) LDTP08000 8.88  LDD1941 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 9.99  LDD1941 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 5.10  LDD1941 
Nucleobindin-2 (NUCB2) LDTP05160 6.68  LDD1941 
Plexin-B2 (PLXNB2) LDTP00513 9.65  LDD1941 
Protein unc-119 homolog B (UNC119B) LDTP00105 7.62  LDD1941 
Reticulon-3 (RTN3) LDTP01522 8.69  LDD1941 
Syntaxin-18 (STX18) LDTP13086 5.10  LDD1941 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 5.06  LDD1941 
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⏷ Show the Full List of 12 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
 LDD1941 
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