Details of the Probe

General Information of Probe

Probe ID
LDPC0556
Probe Name
C333
Synonyms
Z4282859907
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 402.5
Lipid-water partition coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C20H26N4O3S
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]propanamide
Canonical SMILES
CC1CN(S(=O)(=O)C1)C2=CC=C(C=C2)C(C)NC(=O)CCC3(N=N3)CCC#C
InChI
InChI=1S/C20H26N4O3S/c1-4-5-11-20(22-23-20)12-10-19(25)21-16(3)17-6-8-18(9-7-17)24-13-15(2)14-28(24,26)27/h1,6-9,15-16H,5,10-14H2,2-3H3,(H,21,25)
InChIKey
MKXSJSFCMJHSOG-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

31 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Alpha-aminoadipic semialdehyde dehydrogenase (ALDH7A1) LDTP04253 8.88  LDD1996 
ATP-dependent translocase ABCB1 (ABCB1) LDTP02254 5.94  LDD1996 
Ceramide synthase 2 (CERS2) LDTP10329 4.92  LDD1996 
Cytochrome b5 type B (CYB5B) LDTP00697 5.28  LDD1996 
Delta(24)-sterol reductase (DHCR24) LDTP06375 6.23  LDD1996 
Dihydrofolate reductase (DHFR) LDTP01769 6.36  LDD1996 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 5.06  LDD1996 
Epoxide hydrolase 1 (EPHX1) LDTP02175 18.25  LDD1996 
Exonuclease 1 (EXO1) LDTP13751 5.06  LDD1996 
Heparan sulfate 2-O-sulfotransferase 1 (HS2ST1) LDTP07990 5.39  LDD1996 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 5.90  LDD1996 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 4.96  LDD1996 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 22.01  LDD1996 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 14.62  LDD1996 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 5.21  LDD1996 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 37.01  LDD1996 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 12.55  LDD1996 
Prostaglandin reductase 2 (PTGR2) LDTP08979 7.84  LDD1996 
Prostaglandin reductase 3 (PTGR3) LDTP15422 5.28  LDD1996 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 9.71  LDD1996 
Proteasome subunit beta type-4 (PSMB4) LDTP03417 7.21  LDD1996 
Proteasome subunit beta type-6 (PSMB6) LDTP03418 13.74  LDD1996 
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (FNTA) LDTP04246 5.62  LDD1996 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 15.67  LDD1996 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 10.70  LDD1996 
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (PDE6D) LDTP00907 14.22  LDD1996 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 7.31  LDD1996 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 7.67  LDD1996 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 9.45  LDD1996 
Thioredoxin-like protein 1 (TXNL1) LDTP00758 5.74  LDD1996 
Thioredoxin-related transmembrane protein 1 (TMX1) LDTP11874 4.92  LDD1996 
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⏷ Show the Full List of 31 Enzyme
18 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Acetyl-coenzyme A transporter 1 (SLC33A1) LDTP00262 7.11  LDD1996 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 5.35  LDD1996 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 15.67  LDD1996 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 9.99  LDD1996 
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 6.87  LDD1996 
Metaxin-1 (MTX1) LDTP05900 5.43  LDD1996 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 6.73  LDD1996 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 18.25  LDD1996 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 33.13  LDD1996 
Mpv17-like protein 2 (MPV17L2) LDTP14952 9.71  LDD1996 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 7.26  LDD1996 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 6.77  LDD1996 
Solute carrier family 25 member 44 (SLC25A44) LDTP15733 8.82  LDD1996 
Solute carrier family 35 member F1 (SLC35F1) LDTP15000 8.63  LDD1996 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 6.11  LDD1996 
StAR-related lipid transfer protein 7, mitochondrial (STARD7) LDTP18459 5.39  LDD1996 
Transmembrane protein 199 (TMEM199) LDTP08881 18.13  LDD1996 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 5.86  LDD1996 
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⏷ Show the Full List of 18 Transporter and channel
10 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 9.78  LDD1996 
Clustered mitochondria protein homolog (CLUH) LDTP14486 7.21  LDD1996 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 9.13  LDD1996 
Eukaryotic translation initiation factor 5 (EIF5) LDTP04652 6.28  LDD1996 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 12.73  LDD1996 
Neuferricin (CYB5D2) LDTP15623 7.01  LDD1996 
Nucleobindin-1 (NUCB1) LDTP05375 6.06  LDD1996 
Nucleobindin-2 (NUCB2) LDTP05160 5.35  LDD1996 
Phosphatidylethanolamine-binding protein 1 (PEBP1) LDTP03520 53.82  LDD1996 
Protein CutA (CUTA) LDTP01075 4.92  LDD1996 
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⏷ Show the Full List of 10 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
 LDD1996 
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