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

26 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 14.72  LDD2078 
7-dehydrocholesterol reductase (DHCR7) LDTP13131 10.70  LDD2078 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 10.20  LDD2078 
Corrinoid adenosyltransferase MMAB (MMAB) LDTP10286 7.57  LDD2078 
Cytochrome b-c1 complex subunit 1, mitochondrial (UQCRC1) LDTP03610 7.46  LDD2078 
Cytochrome b5 type B (CYB5B) LDTP00697 99.73  LDD2078 
Dehydrogenase/reductase SDR family member 1 (DHRS1) LDTP10550 8.57  LDD2078 
Delta(14)-sterol reductase LBR (LBR) LDTP06200 9.06  LDD2078 
Deoxyhypusine hydroxylase (DOHH) LDTP11225 8.28  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 SMYD3 (SMYD3) LDTP12020 15.56  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 beta subcomplex subunit 3 (NDUFB3) LDTP00832 31.56  LDD2078 
NADH dehydrogenase 1 beta subcomplex subunit 9 (NDUFB9) LDTP14276 11.08  LDD2078 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 13.64  LDD2078 
Proteasome subunit alpha type-6 (PSMA6) LDTP04884 8.57  LDD2078 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 14.72  LDD2078 
Signal peptidase complex catalytic subunit SEC11A (SEC11A) LDTP05066 12.91  LDD2078 
Thiol S-methyltransferase TMT1A (TMT1A) LDTP12056 8.06  LDD2078 
Thioredoxin domain-containing protein 12 (TXNDC12) LDTP01707 6.63  LDD2078 
Thioredoxin-related transmembrane protein 1 (TMX1) LDTP11874 11.24  LDD2078 
Unconventional myosin-VI (MYO6) LDTP13609 5.50  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 
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⏷ Show the Full List of 26 Enzyme
15 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 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 20.68  LDD2078 
Importin subunit alpha-1 (KPNA2) LDTP04501 11.71  LDD2078 
Mitochondrial carrier homolog 2 (MTCH2) LDTP14235 7.06  LDD2078 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 9.71  LDD2078 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 44.63  LDD2078 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 19.84  LDD2078 
Prosaposin (PSAP) LDTP02215 11.00  LDD2078 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 22.47  LDD2078 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 13.27  LDD2078 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 10.27  LDD2078 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 10.27  LDD2078 
Transmembrane protein 87A (TMEM87A) LDTP15481 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 
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⏷ Show the Full List of 15 Transporter and channel
15 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 
Alpha-internexin (INA) LDTP06527 7.57  LDD2078 
Apolipoprotein L2 (APOL2) LDTP11076 18.77  LDD2078 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 7.67  LDD2078 
Catenin beta-1 (CTNNB1) LDTP03712 7.84  LDD2078 
COP9 signalosome complex subunit 7a (COPS7A) LDTP13170 5.58  LDD2078 
Desmocollin-3 (DSC3) LDTP06154 17.03  LDD2078 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 14.83  LDD2078 
Gem-associated protein 4 (GEMIN4) LDTP04790 6.19  LDD2078 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 10.78  LDD2078 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 93.70  LDD2078 
Protein FAM162A (FAM162A) LDTP10056 9.45  LDD2078 
Reticulon-3 (RTN3) LDTP01522 19.97  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 
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⏷ Show the Full List of 15 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