Details of the Probe

General Information of Probe

Probe ID
LDPC0559
Probe Name
C336
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 306.41
Lipid-water partition coefficient (xlogp) 1.2572
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C16H26N4O2
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])C([H])([H])C(O[H])(C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C2([H])[H])N=N1
InChI
InChI=1S/C16H26N4O2/c1-4-5-9-16(17-18-16)10-7-14(21)20-11-6-8-15(22,13-20)12-19(2)3/h1,22H,5-13H2,2-3H3/t15-/m1/s1
InChIKey
RZJAVZCULVXNQQ-OAHLLOKOSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

7 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Alpha-galactosidase A (GLA) LDTP02141 5.70  LDD1999 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 5.54  LDD1999 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 6.11  LDD1999 
Lysosomal acid phosphatase (ACP2) LDTP02539 6.32  LDD1999 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 9.58  LDD1999 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 7.89  LDD1999 
Ribonuclease T2 (RNASET2) LDTP00316 6.28  LDD1999 
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⏷ Show the Full List of 7 Enzyme
3 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Amyloid-beta precursor protein (APP) LDTP02071 7.67  LDD1999 
Mpv17-like protein 2 (MPV17L2) LDTP14952 6.19  LDD1999 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 6.28  LDD1999 
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2 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Galectin-3-binding protein (LGALS3BP) LDTP05558 5.66  LDD1999 
Seizure 6-like protein 2 (SEZ6L2) LDTP07703 9.25  LDD1999 
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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
 LDD1999 
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