Details of the Probe

General Information of Probe

Probe ID
LDPC0484
Probe Name
C251
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 371.828
Lipid-water partition coefficient (xlogp) 2.9046
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C18H18ClN5O2
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C2=NN(c3c([H])c([H])c([H])c(Cl)c3[H])C(=O)C2([H])[H])N=N1
InChI
InChI=1S/C18H18ClN5O2/c1-2-3-7-18(22-23-18)8-9-20-16(25)11-14-12-17(26)24(21-14)15-6-4-5-13(19)10-15/h1,4-6,10H,3,7-9,11-12H2,(H,20,25)
InChIKey
CHDYGOUERCWXQJ-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

24 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
2-hydroxyacylsphingosine 1-beta-galactosyltransferase (UGT8) LDTP06657 28.05  LDD1924 
2-oxoglutarate and iron-dependent oxygenase domain-containing protein 3 (OGFOD3) LDTP15132 27.47  LDD1924 
Acireductone dioxygenase (ADI1) LDTP11268 44.02  LDD1924 
ADP-dependent glucokinase (ADPGK) LDTP11127 53.08  LDD1924 
Carnitine O-palmitoyltransferase 1, liver isoform (CPT1A) LDTP04358 35.02  LDD1924 
Catechol O-methyltransferase (COMT) LDTP03145 31.78  LDD1924 
Ceramide synthase 2 (CERS2) LDTP10329 56.89  LDD1924 
Chitobiosyldiphosphodolichol beta-mannosyltransferase (ALG1) LDTP11178 47.84  LDD1924 
Cytochrome b5 type B (CYB5B) LDTP00697 64.00  LDD1924 
D-3-phosphoglycerate dehydrogenase (PHGDH) LDTP00701 32.00  LDD1924 
Dehydrogenase/reductase SDR family member 1 (DHRS1) LDTP10550 52.71  LDD1924 
GDP-Man:Man(3)GlcNAc(2)-PP-Dol alpha-1,2-mannosyltransferase (ALG11) LDTP06721 29.04  LDD1924 
Heme oxygenase 2 (HMOX2) LDTP03540 48.50  LDD1924 
Holocytochrome c-type synthase (HCCS) LDTP04581 28.05  LDD1924 
Hydroxyacylglutathione hydrolase, mitochondrial (HAGH) LDTP06626 30.48  LDD1924 
Lysophospholipase D GDPD1 (GDPD1) LDTP09000 26.91  LDD1924 
Neutral cholesterol ester hydrolase 1 (NCEH1) LDTP07591 37.01  LDD1924 
Peptidyl-prolyl cis-trans isomerase FKBP7 (FKBP7) LDTP14218 40.50  LDD1924 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 28.25  LDD1924 
Probable glutathione peroxidase 8 (GPX8) LDTP09495 58.49  LDD1924 
Prostaglandin E synthase 2 (PTGES2) LDTP12040 25.81  LDD1924 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 57.28  LDD1924 
Squalene monooxygenase (SQLE) LDTP06142 36.25  LDD1924 
Valacyclovir hydrolase (BPHL) LDTP08322 40.22  LDD1924 
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⏷ Show the Full List of 24 Enzyme
11 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Lipid scramblase CLPTM1L (CLPTM1L) LDTP10499 69.07  LDD1924 
Mitochondrial carrier homolog 1 (MTCH1) LDTP12909 29.45  LDD1924 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 29.04  LDD1924 
Nuclear envelope pore membrane protein POM 121C (POM121C) LDTP00127 39.95  LDD1924 
PRA1 family protein 2 (PRAF2) LDTP01060 49.52  LDD1924 
Reticulon-1 (RTN1) LDTP06633 57.28  LDD1924 
Solute carrier family 25 member 33 (SLC25A33) LDTP11162 32.90  LDD1924 
SUN domain-containing protein 1 (SUN1) LDTP01454 34.54  LDD1924 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 30.48  LDD1924 
Transmembrane protein 201 (TMEM201) LDTP07058 28.25  LDD1924 
Transmembrane protein 230 (TMEM230) LDTP10065 39.40  LDD1924 
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⏷ Show the Full List of 11 Transporter and channel
1 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Cell adhesion molecule 1 (CADM1) LDTP11441 27.28  LDD1924 
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14 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 26.17  LDD1924 
Heme-binding protein 1 (HEBP1) LDTP16078 27.86  LDD1924 
Large ribosomal subunit protein uL29m (MRPL47) LDTP16049 30.91  LDD1924 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 51.27  LDD1924 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 25.81  LDD1924 
OCIA domain-containing protein 2 (OCIAD2) LDTP17157 35.26  LDD1924 
Receptor expression-enhancing protein 5 (REEP5) LDTP05257 37.01  LDD1924 
Reticulon-3 (RTN3) LDTP01522 59.30  LDD1924 
Reticulon-4 (RTN4) LDTP12412 29.24  LDD1924 
RNA-binding protein with multiple splicing (RBPMS) LDTP09970 36.76  LDD1924 
Small ribosomal subunit protein mS25 (MRPS25) LDTP14787 27.67  LDD1924 
Small ribosomal subunit protein uS19 (RPS15) LDTP05011 40.79  LDD1924 
TraB domain-containing protein (TRABD) LDTP19963 38.59  LDD1924 
Trophoblast glycoprotein (TPBG) LDTP05960 29.04  LDD1924 
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⏷ Show the Full List of 14 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
 LDD1924 
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