Details of the Probe

General Information of Probe

Probe ID
LDPC0551
Probe Name
C327
Synonyms
Z4225919582
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 342.4
Lipid-water partition coefficient (xlogp) 1.3
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C18H22N4O3
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
Canonical SMILES
CC(C(=O)NCCC1(N=N1)CCC#C)N2C(=O)C3CC=CCC3C2=O
InChI
InChI=1S/C18H22N4O3/c1-3-4-9-18(20-21-18)10-11-19-15(23)12(2)22-16(24)13-7-5-6-8-14(13)17(22)25/h1,5-6,12-14H,4,7-11H2,2H3,(H,19,23)
InChIKey
QBYQAGJOVQHEIW-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

19 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP-dependent translocase ABCB1 (ABCB1) LDTP02254 6.96  LDD1991 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 7.84  LDD1991 
Cell division cycle protein 27 homolog (CDC27) LDTP03525 6.32  LDD1991 
Ceramide synthase 2 (CERS2) LDTP10329 6.96  LDD1991 
Cytochrome b5 type B (CYB5B) LDTP00697 5.66  LDD1991 
Epoxide hydrolase 1 (EPHX1) LDTP02175 7.89  LDD1991 
Heme oxygenase 2 (HMOX2) LDTP03540 6.92  LDD1991 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 5.86  LDD1991 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 13.27  LDD1991 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.54  LDD1991 
Peptidyl-prolyl cis-trans isomerase FKBP2 (FKBP2) LDTP03374 6.11  LDD1991 
Phospholipase A2 group XV (PLA2G15) LDTP09088 5.90  LDD1991 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 9.25  LDD1991 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 5.21  LDD1991 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 7.57  LDD1991 
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (PDE6D) LDTP00907 7.01  LDD1991 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 12.55  LDD1991 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 9.51  LDD1991 
Vitamin K epoxide reductase complex subunit 1-like protein 1 (VKORC1L1) LDTP08728 10.06  LDD1991 
------------------------------------------------------------------------------------
⏷ Show the Full List of 19 Enzyme
14 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Acetyl-coenzyme A transporter 1 (SLC33A1) LDTP00262 10.06  LDD1991 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 7.78  LDD1991 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 7.21  LDD1991 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 20.53  LDD1991 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 33.82  LDD1991 
Mpv17-like protein 2 (MPV17L2) LDTP14952 4.96  LDD1991 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 7.36  LDD1991 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 6.50  LDD1991 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 5.54  LDD1991 
Solute carrier family 25 member 44 (SLC25A44) LDTP15733 6.06  LDD1991 
Solute carrier family 35 member F1 (SLC35F1) LDTP15000 6.06  LDD1991 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 6.54  LDD1991 
Transmembrane protein 199 (TMEM199) LDTP08881 5.90  LDD1991 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 6.06  LDD1991 
------------------------------------------------------------------------------------
⏷ Show the Full List of 14 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 5.21  LDD1991 
Apolipoprotein L2 (APOL2) LDTP11076 7.16  LDD1991 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 9.25  LDD1991 
Clustered mitochondria protein homolog (CLUH) LDTP14486 12.55  LDD1991 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 14.22  LDD1991 
Neudesin (NENF) LDTP13630 7.67  LDD1991 
Nucleobindin-2 (NUCB2) LDTP05160 5.39  LDD1991 
Protein unc-119 homolog B (UNC119B) LDTP00105 6.41  LDD1991 
------------------------------------------------------------------------------------
⏷ 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
 LDD1991 
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