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

60 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5'-3' exonuclease PLD3 (PLD3) LDTP08476 14.93  LDD1941 
5'-3' exonuclease PLD3 (PLD3) LDTP08476 14.93  LDD1941 
Antigen peptide transporter 1 (TAP1) LDTP05408 4.92  LDD1941 
Antigen peptide transporter 1 (TAP1) LDTP05408 4.92  LDD1941 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 7.46  LDD1941 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 7.46  LDD1941 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 14.72  LDD1941 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 14.72  LDD1941 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 22.78  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 2, mitochondrial (UQCRC2) LDTP03189 6.45  LDD1941 
Cytochrome b-c1 complex subunit Rieske, mitochondrial (UQCRFS1) LDTP04144 7.16  LDD1941 
Cytochrome b-c1 complex subunit Rieske, mitochondrial (UQCRFS1) LDTP04144 7.16  LDD1941 
Cytochrome b5 type B (CYB5B) LDTP00697 7.62  LDD1941 
Cytochrome b5 type B (CYB5B) LDTP00697 7.62  LDD1941 
Cytochrome c oxidase subunit 2 (MT-CO2) LDTP01773 6.96  LDD1941 
Cytochrome c oxidase subunit 2 (MT-CO2) LDTP01773 6.96  LDD1941 
Delta(24)-sterol reductase (DHCR24) LDTP06375 11.96  LDD1941 
Delta(24)-sterol reductase (DHCR24) LDTP06375 11.96  LDD1941 
Dolichyldiphosphatase 1 (DOLPP1) LDTP15328 5.13  LDD1941 
Dolichyldiphosphatase 1 (DOLPP1) LDTP15328 5.13  LDD1941 
Epoxide hydrolase 1 (EPHX1) LDTP02175 5.21  LDD1941 
Epoxide hydrolase 1 (EPHX1) LDTP02175 5.21  LDD1941 
Exonuclease 1 (EXO1) LDTP13751 5.78  LDD1941 
Exonuclease 1 (EXO1) LDTP13751 5.78  LDD1941 
Ferrochelatase, mitochondrial (FECH) LDTP03198 7.73  LDD1941 
Ferrochelatase, mitochondrial (FECH) LDTP03198 7.73  LDD1941 
Heme oxygenase 1 (HMOX1) LDTP02359 5.24  LDD1941 
Heme oxygenase 1 (HMOX1) LDTP02359 5.24  LDD1941 
Heme oxygenase 2 (HMOX2) LDTP03540 5.06  LDD1941 
Heme oxygenase 2 (HMOX2) LDTP03540 5.06  LDD1941 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 6.28  LDD1941 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 6.28  LDD1941 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 14.72  LDD1941 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 14.72  LDD1941 
Lysine-specific histone demethylase 2 (KDM1B) LDTP09043 9.32  LDD1941 
Lysine-specific histone demethylase 2 (KDM1B) LDTP09043 9.32  LDD1941 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 8.17  LDD1941 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 8.17  LDD1941 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 7.41  LDD1941 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 7.41  LDD1941 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 5.17  LDD1941 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 5.17  LDD1941 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 9.25  LDD1941 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 9.25  LDD1941 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 6.11  LDD1941 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 6.11  LDD1941 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 8.28  LDD1941 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 8.28  LDD1941 
Protein O-GlcNAcase (OGA) LDTP00988 5.50  LDD1941 
Protein O-GlcNAcase (OGA) LDTP00988 5.50  LDD1941 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 7.36  LDD1941 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 7.36  LDD1941 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 6.41  LDD1941 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 6.41  LDD1941 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 7.67  LDD1941 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 7.67  LDD1941 
Sepiapterin reductase (SPR) LDTP03730 4.92  LDD1941 
Sepiapterin reductase (SPR) LDTP03730 4.92  LDD1941 
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⏷ Show the Full List of 60 Enzyme
28 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 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 9.32  LDD1941 
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 8.06  LDD1941 
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 8.06  LDD1941 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 5.58  LDD1941 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 5.58  LDD1941 
Metaxin-1 (MTX1) LDTP05900 12.47  LDD1941 
Metaxin-1 (MTX1) LDTP05900 12.47  LDD1941 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.21  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-A (TIMM17A) LDTP10913 8.75  LDD1941 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 7.67  LDD1941 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 7.67  LDD1941 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 7.78  LDD1941 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 7.78  LDD1941 
Nucleoporin NDC1 (NDC1) LDTP11213 5.39  LDD1941 
Nucleoporin NDC1 (NDC1) LDTP11213 5.39  LDD1941 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 5.66  LDD1941 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 5.66  LDD1941 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 7.36  LDD1941 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 7.36  LDD1941 
Transmembrane protein 126A (TMEM126A) LDTP15948 5.78  LDD1941 
Transmembrane protein 126A (TMEM126A) LDTP15948 5.78  LDD1941 
Transmembrane protein 160 (TMEM160) LDTP20002 6.59  LDD1941 
Transmembrane protein 160 (TMEM160) LDTP20002 6.59  LDD1941 
Transmembrane protein 199 (TMEM199) LDTP08881 5.62  LDD1941 
Transmembrane protein 199 (TMEM199) LDTP08881 5.62  LDD1941 
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⏷ Show the Full List of 28 Transporter and channel
24 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 
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 5.70  LDD1941 
Apolipoprotein L2 (APOL2) LDTP11076 5.06  LDD1941 
Apolipoprotein L2 (APOL2) LDTP11076 5.06  LDD1941 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 5.13  LDD1941 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 5.13  LDD1941 
Dymeclin (DYM) LDTP08000 8.88  LDD1941 
Dymeclin (DYM) LDTP08000 8.88  LDD1941 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 9.99  LDD1941 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 9.99  LDD1941 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 5.10  LDD1941 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 5.10  LDD1941 
Nucleobindin-2 (NUCB2) LDTP05160 6.68  LDD1941 
Nucleobindin-2 (NUCB2) LDTP05160 6.68  LDD1941 
Plexin-B2 (PLXNB2) LDTP00513 9.65  LDD1941 
Plexin-B2 (PLXNB2) LDTP00513 9.65  LDD1941 
Protein unc-119 homolog B (UNC119B) LDTP00105 7.62  LDD1941 
Protein unc-119 homolog B (UNC119B) LDTP00105 7.62  LDD1941 
Reticulon-3 (RTN3) LDTP01522 8.69  LDD1941 
Reticulon-3 (RTN3) LDTP01522 8.69  LDD1941 
Syntaxin-18 (STX18) LDTP13086 5.10  LDD1941 
Syntaxin-18 (STX18) LDTP13086 5.10  LDD1941 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 5.06  LDD1941 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 5.06  LDD1941 
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⏷ Show the Full List of 24 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