Details of the Probe

General Information of Probe

Probe ID
LDPC0557
Probe Name
C334
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 302.422
Lipid-water partition coefficient (xlogp) 2.3311
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C17H26N4O
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C2([H])C([H])([H])C([H])(N(C([H])([H])[H])C([H])([H])[H])C23C([H])([H])C([H])([H])C3([H])[H])N=N1
InChI
InChI=1S/C17H26N4O/c1-4-5-10-17(19-20-17)11-7-15(22)18-13-12-14(21(2)3)16(13)8-6-9-16/h1,13-14H,5-12H2,2-3H3,(H,18,22)/t13-,14+/m1/s1
InChIKey
ZUOOVWNZSRBWEX-KGLIPLIRSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

11 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5'-3' exonuclease PLD3 (PLD3) LDTP08476 6.06  LDD1997 
Alpha-galactosidase A (GLA) LDTP02141 6.96  LDD1997 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 7.11  LDD1997 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 4.96  LDD1997 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 7.21  LDD1997 
Lysosomal acid phosphatase (ACP2) LDTP02539 6.73  LDD1997 
Lysosomal alpha-glucosidase (GAA) LDTP02486 4.99  LDD1997 
Plasma alpha-L-fucosidase (FUCA2) LDTP11215 5.46  LDD1997 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 7.84  LDD1997 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 8.51  LDD1997 
Ribonuclease T2 (RNASET2) LDTP00316 8.34  LDD1997 
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⏷ Show the Full List of 11 Enzyme
4 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Amyloid-beta precursor protein (APP) LDTP02071 10.06  LDD1997 
NPC intracellular cholesterol transporter 2 (NPC2) LDTP04940 5.82  LDD1997 
Protein tweety homolog 3 (TTYH3) LDTP11615 6.23  LDD1997 
Transferrin receptor protein 1 (TFRC) LDTP01969 5.62  LDD1997 
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4 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Clustered mitochondria protein homolog (CLUH) LDTP14486 5.58  LDD1997 
Galectin-3-binding protein (LGALS3BP) LDTP05558 8.28  LDD1997 
Ganglioside GM2 activator (GM2A) LDTP02927 4.96  LDD1997 
Seizure 6-like protein 2 (SEZ6L2) LDTP07703 15.67  LDD1997 
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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
 LDD1997 
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