Details of the Probe

General Information of Probe

Probe ID
LDPC0638
Probe Name
C423
Synonyms
Z4282859913
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 401.9
Lipid-water partition coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C20H24ClN5O2
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]propanamide
Canonical SMILES
C#CCCC1(N=N1)CCC(=O)NCC(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H24ClN5O2/c1-2-3-9-20(23-24-20)10-8-18(27)22-15-19(28)26-13-11-25(12-14-26)17-6-4-16(21)5-7-17/h1,4-7H,3,8-15H2,(H,22,27)
InChIKey
FQDOCOXAYUQBPR-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

52 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 14.72  LDD2078 
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 14.72  LDD2078 
7-dehydrocholesterol reductase (DHCR7) LDTP13131 10.70  LDD2078 
7-dehydrocholesterol reductase (DHCR7) LDTP13131 10.70  LDD2078 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 10.20  LDD2078 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 10.20  LDD2078 
Corrinoid adenosyltransferase MMAB (MMAB) LDTP10286 7.57  LDD2078 
Corrinoid adenosyltransferase MMAB (MMAB) LDTP10286 7.57  LDD2078 
Cytochrome b-c1 complex subunit 1, mitochondrial (UQCRC1) LDTP03610 7.46  LDD2078 
Cytochrome b-c1 complex subunit 1, mitochondrial (UQCRC1) LDTP03610 7.46  LDD2078 
Cytochrome b5 type B (CYB5B) LDTP00697 99.73  LDD2078 
Cytochrome b5 type B (CYB5B) LDTP00697 99.73  LDD2078 
Dehydrogenase/reductase SDR family member 1 (DHRS1) LDTP10550 8.57  LDD2078 
Dehydrogenase/reductase SDR family member 1 (DHRS1) LDTP10550 8.57  LDD2078 
Delta(14)-sterol reductase LBR (LBR) LDTP06200 9.06  LDD2078 
Delta(14)-sterol reductase LBR (LBR) LDTP06200 9.06  LDD2078 
Deoxyhypusine hydroxylase (DOHH) LDTP11225 8.28  LDD2078 
Deoxyhypusine hydroxylase (DOHH) LDTP11225 8.28  LDD2078 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 8.75  LDD2078 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 8.75  LDD2078 
Histone-lysine N-methyltransferase 2A (KMT2A) LDTP05396 10.34  LDD2078 
Histone-lysine N-methyltransferase 2A (KMT2A) LDTP05396 10.34  LDD2078 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 15.56  LDD2078 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 15.56  LDD2078 
Inactive hydroxysteroid dehydrogenase-like protein 1 (HSDL1) LDTP06787 14.62  LDD2078 
Inactive hydroxysteroid dehydrogenase-like protein 1 (HSDL1) LDTP06787 14.62  LDD2078 
NADH dehydrogenase 1 alpha subcomplex subunit 11 (NDUFA11) LDTP08385 6.68  LDD2078 
NADH dehydrogenase 1 alpha subcomplex subunit 11 (NDUFA11) LDTP08385 6.68  LDD2078 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 31.56  LDD2078 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 31.56  LDD2078 
NADH dehydrogenase 1 beta subcomplex subunit 9 (NDUFB9) LDTP14276 11.08  LDD2078 
NADH dehydrogenase 1 beta subcomplex subunit 9 (NDUFB9) LDTP14276 11.08  LDD2078 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 13.64  LDD2078 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 13.64  LDD2078 
Proteasome subunit alpha type-6 (PSMA6) LDTP04884 8.57  LDD2078 
Proteasome subunit alpha type-6 (PSMA6) LDTP04884 8.57  LDD2078 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 14.72  LDD2078 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 14.72  LDD2078 
Signal peptidase complex catalytic subunit SEC11A (SEC11A) LDTP05066 12.91  LDD2078 
Signal peptidase complex catalytic subunit SEC11A (SEC11A) LDTP05066 12.91  LDD2078 
Thiol S-methyltransferase TMT1A (TMT1A) LDTP12056 8.06  LDD2078 
Thiol S-methyltransferase TMT1A (TMT1A) LDTP12056 8.06  LDD2078 
Thioredoxin domain-containing protein 12 (TXNDC12) LDTP01707 6.63  LDD2078 
Thioredoxin domain-containing protein 12 (TXNDC12) LDTP01707 6.63  LDD2078 
Thioredoxin-related transmembrane protein 1 (TMX1) LDTP11874 11.24  LDD2078 
Thioredoxin-related transmembrane protein 1 (TMX1) LDTP11874 11.24  LDD2078 
Unconventional myosin-VI (MYO6) LDTP13609 5.50  LDD2078 
Unconventional myosin-VI (MYO6) LDTP13609 5.50  LDD2078 
Very-long-chain enoyl-CoA reductase (TECR) LDTP12867 26.54  LDD2078 
Very-long-chain enoyl-CoA reductase (TECR) LDTP12867 26.54  LDD2078 
Vitamin K epoxide reductase complex subunit 1-like protein 1 (VKORC1L1) LDTP08728 21.11  LDD2078 
Vitamin K epoxide reductase complex subunit 1-like protein 1 (VKORC1L1) LDTP08728 21.11  LDD2078 
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⏷ Show the Full List of 52 Enzyme
30 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 99.73  LDD2078 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 99.73  LDD2078 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 20.68  LDD2078 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 20.68  LDD2078 
Importin subunit alpha-1 (KPNA2) LDTP04501 11.71  LDD2078 
Importin subunit alpha-1 (KPNA2) LDTP04501 11.71  LDD2078 
Mitochondrial carrier homolog 2 (MTCH2) LDTP14235 7.06  LDD2078 
Mitochondrial carrier homolog 2 (MTCH2) LDTP14235 7.06  LDD2078 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 9.71  LDD2078 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 9.71  LDD2078 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 44.63  LDD2078 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 44.63  LDD2078 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 19.84  LDD2078 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 19.84  LDD2078 
Prosaposin (PSAP) LDTP02215 11.00  LDD2078 
Prosaposin (PSAP) LDTP02215 11.00  LDD2078 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 22.47  LDD2078 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 22.47  LDD2078 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 13.27  LDD2078 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 13.27  LDD2078 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 10.27  LDD2078 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 10.27  LDD2078 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 10.27  LDD2078 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 10.27  LDD2078 
Transmembrane protein 87A (TMEM87A) LDTP15481 7.11  LDD2078 
Transmembrane protein 87A (TMEM87A) LDTP15481 7.11  LDD2078 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 7.11  LDD2078 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 7.11  LDD2078 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 11.47  LDD2078 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 11.47  LDD2078 
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⏷ Show the Full List of 30 Transporter and channel
30 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Activating transcription factor 7-interacting protein 1 (ATF7IP) LDTP07732 6.82  LDD2078 
Activating transcription factor 7-interacting protein 1 (ATF7IP) LDTP07732 6.82  LDD2078 
Alpha-internexin (INA) LDTP06527 7.57  LDD2078 
Alpha-internexin (INA) LDTP06527 7.57  LDD2078 
Apolipoprotein L2 (APOL2) LDTP11076 18.77  LDD2078 
Apolipoprotein L2 (APOL2) LDTP11076 18.77  LDD2078 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 7.67  LDD2078 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 7.67  LDD2078 
Catenin beta-1 (CTNNB1) LDTP03712 7.84  LDD2078 
Catenin beta-1 (CTNNB1) LDTP03712 7.84  LDD2078 
COP9 signalosome complex subunit 7a (COPS7A) LDTP13170 5.58  LDD2078 
COP9 signalosome complex subunit 7a (COPS7A) LDTP13170 5.58  LDD2078 
Desmocollin-3 (DSC3) LDTP06154 17.03  LDD2078 
Desmocollin-3 (DSC3) LDTP06154 17.03  LDD2078 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 14.83  LDD2078 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 14.83  LDD2078 
Gem-associated protein 4 (GEMIN4) LDTP04790 6.19  LDD2078 
Gem-associated protein 4 (GEMIN4) LDTP04790 6.19  LDD2078 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 10.78  LDD2078 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 10.78  LDD2078 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 93.70  LDD2078 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 93.70  LDD2078 
Protein FAM162A (FAM162A) LDTP10056 9.45  LDD2078 
Protein FAM162A (FAM162A) LDTP10056 9.45  LDD2078 
Reticulon-3 (RTN3) LDTP01522 19.97  LDD2078 
Reticulon-3 (RTN3) LDTP01522 19.97  LDD2078 
U6 snRNA-associated Sm-like protein LSm6 (LSM6) LDTP04980 10.41  LDD2078 
U6 snRNA-associated Sm-like protein LSm6 (LSM6) LDTP04980 10.41  LDD2078 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 9.92  LDD2078 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 9.92  LDD2078 
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⏷ Show the Full List of 30 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
 LDD2078 
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