Details of the Probe

General Information of Probe

Probe ID
LDPC0435
Probe Name
C199
Synonyms
Z4286591386
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 352.4
Lipid-water partition coefficient (xlogp) 0.8
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C15H20N4O4S
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-5-(methanesulfonamidomethyl)-2-methylfuran-3-carboxamide
Canonical SMILES
CC1=C(C=C(O1)CNS(=O)(=O)C)C(=O)NCCC2(N=N2)CCC#C
InChI
InChI=1S/C15H20N4O4S/c1-4-5-6-15(18-19-15)7-8-16-14(20)13-9-12(23-11(13)2)10-17-24(3,21)22/h1,9,17H,5-8,10H2,2-3H3,(H,16,20)
InChIKey
XPSBHZMLFDWRDF-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

23 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 5.03  LDD1875 
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 5.10  LDD1875 
Adenosine kinase (ADK) LDTP04689 15.14  LDD1875 
ATP-dependent translocase ABCB1 (ABCB1) LDTP02254 8.57  LDD1875 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 7.16  LDD1875 
Cytochrome b5 type B (CYB5B) LDTP00697 6.82  LDD1875 
Delta(24)-sterol reductase (DHCR24) LDTP06375 6.36  LDD1875 
Epimerase family protein SDR39U1 (SDR39U1) LDTP16070 8.46  LDD1875 
Epoxide hydrolase 1 (EPHX1) LDTP02175 7.01  LDD1875 
Ferrochelatase, mitochondrial (FECH) LDTP03198 12.82  LDD1875 
Heme oxygenase 2 (HMOX2) LDTP03540 5.50  LDD1875 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 10.85  LDD1875 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 6.54  LDD1875 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 5.90  LDD1875 
Peroxisomal acyl-coenzyme A oxidase 3 (ACOX3) LDTP00589 6.15  LDD1875 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 9.25  LDD1875 
Prostaglandin E synthase 2 (PTGES2) LDTP12040 5.86  LDD1875 
Protein O-GlcNAcase (OGA) LDTP00988 5.31  LDD1875 
Quinone oxidoreductase (CRYZ) LDTP05551 13.74  LDD1875 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 5.28  LDD1875 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 5.78  LDD1875 
TLC domain-containing protein 1 (TLCD1) LDTP10182 5.54  LDD1875 
Transmembrane protein with metallophosphoesterase domain (TMPPE) LDTP07831 6.82  LDD1875 
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⏷ Show the Full List of 23 Enzyme
17 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP synthase subunit a (MT-ATP6) LDTP01804 8.17  LDD1875 
Equilibrative nucleoside transporter 1 (SLC29A1) LDTP10985 7.78  LDD1875 
ER membrane protein complex subunit 5 (MMGT1) LDTP08878 8.22  LDD1875 
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 6.63  LDD1875 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 6.68  LDD1875 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 14.32  LDD1875 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 6.15  LDD1875 
Mpv17-like protein 2 (MPV17L2) LDTP14952 9.71  LDD1875 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 9.06  LDD1875 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 9.06  LDD1875 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 22.16  LDD1875 
Solute carrier family 35 member F1 (SLC35F1) LDTP15000 6.23  LDD1875 
Translocator protein (TSPO) LDTP03546 5.21  LDD1875 
Transmembrane protein 126A (TMEM126A) LDTP15948 7.52  LDD1875 
Transmembrane protein 160 (TMEM160) LDTP20002 5.39  LDD1875 
Transmembrane protein 199 (TMEM199) LDTP08881 5.06  LDD1875 
Transmembrane protein 205 (TMEM205) LDTP07667 7.52  LDD1875 
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⏷ Show the Full List of 17 Transporter and channel
8 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 5.50  LDD1875 
Apolipoprotein L2 (APOL2) LDTP11076 9.99  LDD1875 
Clustered mitochondria protein homolog (CLUH) LDTP14486 5.58  LDD1875 
Large proline-rich protein BAG6 (BAG6) LDTP04094 7.73  LDD1875 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 6.36  LDD1875 
Neuferricin (CYB5D2) LDTP15623 10.20  LDD1875 
Protein unc-119 homolog B (UNC119B) LDTP00105 7.84  LDD1875 
Testis-expressed protein 264 (TEX264) LDTP14259 6.82  LDD1875 
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⏷ Show the Full List of 8 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
 LDD1875 
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