Details of the Probe

General Information of Probe

Probe ID
LDPC0639
Probe Name
C424
Synonyms
Z4282859869
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 392.4
Lipid-water partition coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C18H21FN4O3S
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-fluorophenyl]propanamide
Canonical SMILES
C#CCCC1(N=N1)CCC(=O)NC2=CC(=C(C=C2)F)N3CCS(=O)(=O)CC3
InChI
InChI=1S/C18H21FN4O3S/c1-2-3-7-18(21-22-18)8-6-17(24)20-14-4-5-15(19)16(13-14)23-9-11-27(25,26)12-10-23/h1,4-5,13H,3,6-12H2,(H,20,24)
InChIKey
BERNJPNKZNCNHZ-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

59 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 7.36  LDD2079 
Adipocyte plasma membrane-associated protein (APMAP) LDTP12293 45.57  LDD2079 
ADP-dependent glucokinase (ADPGK) LDTP11127 14.32  LDD2079 
Aldehyde dehydrogenase family 3 member A2 (ALDH3A2) LDTP04437 11.47  LDD2079 
Alkyldihydroxyacetonephosphate synthase, peroxisomal (AGPS) LDTP00186 8.57  LDD2079 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 13.36  LDD2079 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 9.25  LDD2079 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 21.71  LDD2079 
Ceramide synthase 2 (CERS2) LDTP10329 7.78  LDD2079 
Cytochrome b-c1 complex subunit 8 (UQCRQ) LDTP00486 8.94  LDD2079 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 10.27  LDD2079 
Cytochrome b5 type B (CYB5B) LDTP00697 29.45  LDD2079 
Delta(24)-sterol reductase (DHCR24) LDTP06375 18.64  LDD2079 
Deoxyhypusine hydroxylase (DOHH) LDTP11225 7.52  LDD2079 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 24.25  LDD2079 
Epoxide hydrolase 1 (EPHX1) LDTP02175 7.46  LDD2079 
Exonuclease 1 (EXO1) LDTP13751 8.11  LDD2079 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 7.89  LDD2079 
Glyoxalase domain-containing protein 4 (GLOD4) LDTP16040 7.73  LDD2079 
Heme oxygenase 1 (HMOX1) LDTP02359 8.17  LDD2079 
Heme oxygenase 2 (HMOX2) LDTP03540 17.15  LDD2079 
Histone-lysine N-methyltransferase 2A (KMT2A) LDTP05396 7.57  LDD2079 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 9.71  LDD2079 
Inactive hydroxysteroid dehydrogenase-like protein 1 (HSDL1) LDTP06787 11.79  LDD2079 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 8.00  LDD2079 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 11.63  LDD2079 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 25.11  LDD2079 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 32.67  LDD2079 
Lysophospholipid acyltransferase 7 (MBOAT7) LDTP10612 11.39  LDD2079 
Methylsterol monooxygenase 1 (MSMO1) LDTP06477 8.17  LDD2079 
Mitochondrial cardiolipin hydrolase (PLD6) LDTP08790 15.78  LDD2079 
Mitochondrial tRNA-specific 2-thiouridylase 1 (TRMU) LDTP01284 7.94  LDD2079 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 15.35  LDD2079 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 13.18  LDD2079 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 41.64  LDD2079 
NADH dehydrogenase 1 beta subcomplex subunit 9 (NDUFB9) LDTP14276 9.38  LDD2079 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 22.63  LDD2079 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 10.13  LDD2079 
Peroxisomal acyl-coenzyme A oxidase 3 (ACOX3) LDTP00589 10.20  LDD2079 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 21.56  LDD2079 
Prolyl 3-hydroxylase 1 (P3H1) LDTP06750 7.94  LDD2079 
Prostaglandin reductase 2 (PTGR2) LDTP08979 7.36  LDD2079 
Prostaglandin reductase 3 (PTGR3) LDTP15422 7.67  LDD2079 
Proteasome subunit alpha type-6 (PSMA6) LDTP04884 7.36  LDD2079 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 9.13  LDD2079 
Proteasome subunit beta type-5 (PSMB5) LDTP03419 15.03  LDD2079 
Protein O-GlcNAcase (OGA) LDTP00988 14.52  LDD2079 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 41.64  LDD2079 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 15.14  LDD2079 
Ribosomal protein S6 kinase alpha-1 (RPS6KA1) LDTP06384 10.85  LDD2079 
RNA cytosine C(5)-methyltransferase NSUN2 (NSUN2) LDTP05588 7.36  LDD2079 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 8.11  LDD2079 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 7.94  LDD2079 
Serine palmitoyltransferase 1 (SPTLC1) LDTP00597 16.00  LDD2079 
Signal peptidase complex catalytic subunit SEC11A (SEC11A) LDTP05066 7.62  LDD2079 
Sphingosine-1-phosphate lyase 1 (SGPL1) LDTP01613 8.34  LDD2079 
Thimet oligopeptidase (THOP1) LDTP04542 39.12  LDD2079 
Transmembrane protein with metallophosphoesterase domain (TMPPE) LDTP07831 15.14  LDD2079 
V-type proton ATPase 116 kDa subunit a 2 (ATP6V0A2) LDTP14030 17.75  LDD2079 
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⏷ Show the Full List of 59 Enzyme
41 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Adenosine 3'-phospho 5'-phosphosulfate transporter 1 (SLC35B2) LDTP09328 9.85  LDD2079 
Annexin A1 (ANXA1) LDTP02010 7.57  LDD2079 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 17.03  LDD2079 
BRI3-binding protein (BRI3BP) LDTP15648 8.46  LDD2079 
Calcium uptake protein 1, mitochondrial (MICU1) LDTP11041 12.91  LDD2079 
Calcium uptake protein 2, mitochondrial (MICU2) LDTP08673 7.46  LDD2079 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 18.13  LDD2079 
Gasdermin-E (GSDME) LDTP00970 11.88  LDD2079 
High affinity cationic amino acid transporter 1 (SLC7A1) LDTP03559 13.00  LDD2079 
Hippocampus abundant transcript-like protein 1 (MFSD14B) LDTP07063 8.28  LDD2079 
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 13.09  LDD2079 
Major facilitator superfamily domain-containing protein 8 (MFSD8) LDTP09261 9.51  LDD2079 
Membrane-associated progesterone receptor component 1 (PGRMC1) LDTP00235 7.46  LDD2079 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 13.27  LDD2079 
Metaxin-1 (MTX1) LDTP05900 11.47  LDD2079 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 8.40  LDD2079 
Mitochondrial carrier homolog 2 (MTCH2) LDTP14235 7.78  LDD2079 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 12.21  LDD2079 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 65.34  LDD2079 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 53.82  LDD2079 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 48.84  LDD2079 
Mpv17-like protein 2 (MPV17L2) LDTP14952 24.93  LDD2079 
Nucleoporin NDC1 (NDC1) LDTP11213 9.00  LDD2079 
Protein GPR107 (GPR107) LDTP07236 13.00  LDD2079 
Protein GPR108 (GPR108) LDTP12383 14.22  LDD2079 
Putative lipid scramblase CLPTM1 (CLPTM1) LDTP01745 8.51  LDD2079 
Sideroflexin-4 (SFXN4) LDTP07531 7.73  LDD2079 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 11.00  LDD2079 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 9.45  LDD2079 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 18.77  LDD2079 
Sorting nexin-27 (SNX27) LDTP10533 10.27  LDD2079 
STARD3 N-terminal-like protein (STARD3NL) LDTP01671 11.24  LDD2079 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 9.71  LDD2079 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 20.82  LDD2079 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 9.38  LDD2079 
Transmembrane protein 126A (TMEM126A) LDTP15948 8.28  LDD2079 
Transmembrane protein 199 (TMEM199) LDTP08881 26.72  LDD2079 
Vacuole membrane protein 1 (VMP1) LDTP10343 7.78  LDD2079 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 27.28  LDD2079 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 18.77  LDD2079 
Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 7.67  LDD2079 
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⏷ Show the Full List of 41 Transporter and channel
1 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
DnaJ homolog subfamily C member 2 (DNAJC2) LDTP10891 13.55  LDD2079 
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1 Cytokine and receptor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Interferon gamma receptor 1 (IFNGR1) LDTP02775 11.39  LDD2079 
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39 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 19.03  LDD2079 
Apolipoprotein L2 (APOL2) LDTP11076 22.94  LDD2079 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 7.46  LDD2079 
c-Myc-binding protein (MYCBP) LDTP10857 8.63  LDD2079 
Calumenin (CALU) LDTP00887 7.57  LDD2079 
Centrosomal protein 43 (CEP43) LDTP01652 16.45  LDD2079 
Clustered mitochondria protein homolog (CLUH) LDTP14486 9.38  LDD2079 
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 15.78  LDD2079 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 16.22  LDD2079 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 19.43  LDD2079 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 13.27  LDD2079 
HAUS augmin-like complex subunit 5 (HAUS5) LDTP01466 14.72  LDD2079 
Large proline-rich protein BAG6 (BAG6) LDTP04094 9.25  LDD2079 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 64.00  LDD2079 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 22.32  LDD2079 
Neuferricin (CYB5D2) LDTP15623 10.48  LDD2079 
Nucleobindin-2 (NUCB2) LDTP05160 10.41  LDD2079 
Phosphatidylethanolamine-binding protein 1 (PEBP1) LDTP03520 11.88  LDD2079 
Proteasome assembly chaperone 1 (PSMG1) LDTP01608 13.74  LDD2079 
Protein CutA (CUTA) LDTP01075 11.79  LDD2079 
Protein FAM114A2 (FAM114A2) LDTP16080 14.72  LDD2079 
Protein FAM162A (FAM162A) LDTP10056 11.00  LDD2079 
Protein misato homolog 1 (MSTO1) LDTP11239 7.84  LDD2079 
Protein unc-119 homolog A (UNC119) LDTP05868 13.93  LDD2079 
Protein unc-119 homolog B (UNC119B) LDTP00105 28.84  LDD2079 
Reticulocalbin-2 (RCN2) LDTP06097 9.38  LDD2079 
Reticulon-3 (RTN3) LDTP01522 19.16  LDD2079 
Reticulon-4 (RTN4) LDTP12412 38.32  LDD2079 
Signal recognition particle receptor subunit beta (SRPRB) LDTP16323 11.39  LDD2079 
Syntaxin-18 (STX18) LDTP13086 13.27  LDD2079 
Tetratricopeptide repeat protein 19, mitochondrial (TTC19) LDTP07368 7.78  LDD2079 
Thioredoxin-related transmembrane protein 4 (TMX4) LDTP18373 17.88  LDD2079 
TraB domain-containing protein (TRABD) LDTP19963 8.46  LDD2079 
Transmembrane protein 209 (TMEM209) LDTP18272 14.62  LDD2079 
Tubulin beta chain (TUBB) LDTP02205 11.71  LDD2079 
Tubulin beta-2B chain (TUBB2B) LDTP11277 11.63  LDD2079 
Tubulin beta-4B chain (TUBB4B) LDTP05076 13.55  LDD2079 
Tubulin beta-6 chain (TUBB6) LDTP11233 11.08  LDD2079 
Zinc finger CCCH domain-containing protein 7A (ZC3H7A) LDTP15345 8.17  LDD2079 
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⏷ Show the Full List of 39 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
 LDD2079 
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