Details of the Probe

General Information of Probe

Probe ID
LDPC0327
Probe Name
C071
Synonyms
Z3433405303
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 328.4
Lipid-water partition coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C16H16N4O2S
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
Canonical SMILES
C#CCCC1(N=N1)CCNC(=O)CC2=CSC(=N2)C3=COC=C3
InChI
InChI=1S/C16H16N4O2S/c1-2-3-5-16(19-20-16)6-7-17-14(21)9-13-11-23-15(18-13)12-4-8-22-10-12/h1,4,8,10-11H,3,5-7,9H2,(H,17,21)
InChIKey
BWBRTJSLYRUMBM-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

47 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 8.06  LDD1767 
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 12.21  LDD1767 
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 9.85  LDD1767 
Acireductone dioxygenase (ADI1) LDTP11268 8.88  LDD1767 
Activin receptor type-1B (ACVR1B) LDTP03822 8.94  LDD1767 
ADP-ribosylation factor-like protein 10 (ARL10) LDTP19745 10.93  LDD1767 
All-trans-retinol 13,14-reductase (RETSAT) LDTP15097 8.11  LDD1767 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 8.28  LDD1767 
ATP-dependent translocase ABCB1 (ABCB1) LDTP02254 11.16  LDD1767 
Beta-galactosidase (GLB1) LDTP02837 8.51  LDD1767 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 9.45  LDD1767 
Branched-chain alpha-ketoacid dehydrogenase kinase (BCKDK) LDTP00462 9.19  LDD1767 
Ceramide synthase 2 (CERS2) LDTP10329 8.11  LDD1767 
Cytochrome b5 type B (CYB5B) LDTP00697 12.21  LDD1767 
Delta(24)-sterol reductase (DHCR24) LDTP06375 11.24  LDD1767 
E3 ubiquitin-protein ligase NEDD4-like (NEDD4L) LDTP10699 13.83  LDD1767 
Endoplasmic reticulum protein SC65 (P3H4) LDTP09874 8.22  LDD1767 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 11.00  LDD1767 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 9.45  LDD1767 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 9.00  LDD1767 
Glycerol-3-phosphate acyltransferase 1, mitochondrial (GPAM) LDTP12253 15.56  LDD1767 
Glyoxalase domain-containing protein 4 (GLOD4) LDTP16040 20.25  LDD1767 
GTP:AMP phosphotransferase AK3, mitochondrial (AK3) LDTP13352 8.34  LDD1767 
Heme oxygenase 1 (HMOX1) LDTP02359 9.65  LDD1767 
Heme oxygenase 2 (HMOX2) LDTP03540 13.00  LDD1767 
Holocytochrome c-type synthase (HCCS) LDTP04581 9.71  LDD1767 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 18.13  LDD1767 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 20.82  LDD1767 
Lysosomal acid glucosylceramidase (GBA1) LDTP02005 8.82  LDD1767 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 14.22  LDD1767 
Lysosomal protective protein (CTSA) LDTP02505 8.69  LDD1767 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 13.36  LDD1767 
Mitochondrial genome maintenance exonuclease 1 (MGME1) LDTP11090 8.11  LDD1767 
N-alpha-acetyltransferase 40 (NAA40) LDTP08265 9.19  LDD1767 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 8.75  LDD1767 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 9.92  LDD1767 
Phospholipase A2 group XV (PLA2G15) LDTP09088 9.65  LDD1767 
Polyribonucleotide 5'-hydroxyl-kinase Clp1 (CLP1) LDTP09955 12.55  LDD1767 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 9.00  LDD1767 
Prostaglandin E synthase 2 (PTGES2) LDTP12040 8.11  LDD1767 
Prostaglandin reductase 3 (PTGR3) LDTP15422 8.51  LDD1767 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 8.34  LDD1767 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 10.20  LDD1767 
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (PDE6D) LDTP00907 15.14  LDD1767 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 9.32  LDD1767 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 17.51  LDD1767 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 8.63  LDD1767 
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⏷ Show the Full List of 47 Enzyme
31 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 10.93  LDD1767 
BRI3-binding protein (BRI3BP) LDTP15648 8.11  LDD1767 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 14.22  LDD1767 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 9.45  LDD1767 
ER membrane protein complex subunit 5 (MMGT1) LDTP08878 8.11  LDD1767 
H(+)/Cl(-) exchange transporter 7 (CLCN7) LDTP04463 10.20  LDD1767 
Lysosome membrane protein 2 (SCARB2) LDTP06034 22.63  LDD1767 
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 9.99  LDD1767 
Metaxin-1 (MTX1) LDTP05900 10.93  LDD1767 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 8.75  LDD1767 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 13.09  LDD1767 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 13.64  LDD1767 
Mitochondrial pyruvate carrier 2 (MPC2) LDTP01631 11.55  LDD1767 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 15.45  LDD1767 
Mpv17-like protein 2 (MPV17L2) LDTP14952 14.22  LDD1767 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 10.34  LDD1767 
Protein GPR107 (GPR107) LDTP07236 9.06  LDD1767 
Protein GPR108 (GPR108) LDTP12383 8.88  LDD1767 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 14.22  LDD1767 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 8.88  LDD1767 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 10.70  LDD1767 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 9.38  LDD1767 
StAR-related lipid transfer protein 7, mitochondrial (STARD7) LDTP18459 10.56  LDD1767 
Tetraspanin-3 (TSPAN3) LDTP16813 8.40  LDD1767 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 10.27  LDD1767 
Transmembrane protein 126A (TMEM126A) LDTP15948 11.24  LDD1767 
Transmembrane protein 160 (TMEM160) LDTP20002 8.82  LDD1767 
Transmembrane protein 199 (TMEM199) LDTP08881 9.00  LDD1767 
Transmembrane protein 205 (TMEM205) LDTP07667 12.30  LDD1767 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 11.16  LDD1767 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 10.63  LDD1767 
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⏷ Show the Full List of 31 Transporter and channel
1 GPCR Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Membrane progestin receptor alpha (PAQR7) LDTP15303 31.34  LDD1767 
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2 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
HLA class I histocompatibility antigen, B alpha chain (HLA-B) LDTP01913 8.82  LDD1767 
HLA class I histocompatibility antigen, C alpha chain (HLA-C) LDTP02491 8.94  LDD1767 
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19 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 19.29  LDD1767 
Centrosomal protein 43 (CEP43) LDTP01652 8.34  LDD1767 
Clustered mitochondria protein homolog (CLUH) LDTP14486 12.13  LDD1767 
Dynactin subunit 2 (DCTN2) LDTP05922 10.13  LDD1767 
Dyslexia-associated protein KIAA0319-like protein (KIAA0319L) LDTP08689 8.06  LDD1767 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 11.88  LDD1767 
Galanin peptides (GAL) LDTP03175 8.94  LDD1767 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 15.45  LDD1767 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 11.96  LDD1767 
Nucleobindin-2 (NUCB2) LDTP05160 10.06  LDD1767 
Poly(U)-binding-splicing factor PUF60 (PUF60) LDTP13311 13.93  LDD1767 
Pre-mRNA-splicing factor SPF27 (BCAS2) LDTP01358 23.75  LDD1767 
Protein CEBPZOS (CEBPZOS) LDTP18883 8.46  LDD1767 
Protein SET (SET) LDTP05277 8.88  LDD1767 
Protein unc-119 homolog A (UNC119) LDTP05868 10.13  LDD1767 
Reticulon-3 (RTN3) LDTP01522 8.63  LDD1767 
Translation initiation factor eIF2B subunit gamma (EIF2B3) LDTP12476 9.00  LDD1767 
Ubiquinol-cytochrome c reductase complex assembly factor 5 (UQCC5) LDTP15634 12.82  LDD1767 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 11.79  LDD1767 
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⏷ Show the Full List of 19 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
 LDD1767 
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