Details of the Probe

General Information of Probe

Probe ID
LDPC0164
Probe Name
DAyne
Synonyms
SCHEMBL21708855
Probe Type
ABPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 191.23
Lipid-water partition coefficient (xlogp) -0.4
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C11H13NO2
IUPAC Name
4-[2-(prop-2-ynylamino)ethyl]benzene-1,2-diol
Canonical SMILES
C#CCNCCC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C11H13NO2/c1-2-6-12-7-5-9-3-4-10(13)11(14)8-9/h1,3-4,8,12-14H,5-7H2
InChIKey
OIMZHWRJAOKZIX-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

14 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Bifunctional glutamate/proline--tRNA ligase (EPRS1) LDTP02222 3.54  LDD0261 
Dihydropyrimidinase-related protein 1 (CRMP1) LDTP06078 4.44  LDD0261 
Dopamine beta-hydroxylase (DBH) LDTP02331 3.20  LDD0261 
E3 SUMO-protein ligase RanBP2 (RANBP2) LDTP04310 3.14  LDD0261 
E3 ubiquitin-protein ligase HUWE1 (HUWE1) LDTP08135 3.15  LDD0261 
Eukaryotic peptide chain release factor GTP-binding subunit ERF3A (GSPT1) LDTP02770 3.42  LDD0261 
Immunity-related GTPase family Q protein (IRGQ) LDTP19838 2.09  LDD0261 
Protein disulfide-isomerase (P4HB) LDTP02188 2.24  LDD0261 
Protein disulfide-isomerase A3 (PDIA3) LDTP03521 4.15  LDD0261 
Protein disulfide-isomerase A6 (PDIA6) LDTP06314 3.03  LDD0261 
Pyruvate kinase PKM (PKM) LDTP02733 3.49  LDD0261 
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 (ATP2A2) LDTP02860 2.55  LDD0261 
Tubulin alpha-1A chain (TUBA1A) LDTP07907 2.86  LDD0261 
Ubiquitin carboxyl-terminal hydrolase 10 (USP10) LDTP06190 2.73  LDD0261 
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⏷ Show the Full List of 14 Enzyme
3 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Clathrin heavy chain 1 (CLTC) LDTP05252 2.26  LDD0261 
Filamin-A (FLNA) LDTP03107 2.61  LDD0261 
Neuromodulin (GAP43) LDTP02915 2.29  LDD0261 
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19 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Alpha-internexin (INA) LDTP06527 2.10  LDD0261 
Calcium-regulated heat-stable protein 1 (CARHSP1) LDTP13916 3.35  LDD0261 
Calponin-3 (CNN3) LDTP06383 2.60  LDD0261 
Cofilin-1 (CFL1) LDTP03244 4.74  LDD0261 
Echinoderm microtubule-associated protein-like 4 (EML4) LDTP12214 2.02  LDD0261 
Epidermal growth factor receptor substrate 15 (EPS15) LDTP03982 2.39  LDD0261 
La-related protein 1 (LARP1) LDTP07605 2.12  LDD0261 
Microtubule-associated protein 1B (MAP1B) LDTP04112 4.20  LDD0261 
Microtubule-associated protein 2 (MAP2) LDTP02540 2.79  LDD0261 
Microtubule-associated protein 4 (MAP4) LDTP03404 5.00  LDD0261 
Mitochondrial antiviral-signaling protein (MAVS) LDTP08058 2.39  LDD0261 
Nestin (NES) LDTP04206 3.43  LDD0261 
Poly(rC)-binding protein 1 (PCBP1) LDTP06366 5.10  LDD0261 
Prefoldin subunit 3 (VBP1) LDTP04935 2.28  LDD0261 
Protein PRRC2C (PRRC2C) LDTP14085 2.73  LDD0261 
Retrotransposon-like protein 1 (RTL1) LDTP16652 2.66  LDD0261 
Serine/arginine-rich splicing factor 2 (SRSF2) LDTP05280 3.15  LDD0261 
Src substrate cortactin (CTTN) LDTP06094 3.00  LDD0261 
Uncharacterized protein C11orf96 (C11orf96) LDTP19610 2.33  LDD0261 
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⏷ Show the Full List of 19 Other

Full Information of The Labelling Profiles of This Probe

Quantification: Probe vs DMSO
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
10 uM
Quantitative Method
LFQ
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Adrenal
Disease Model
Bone marrow neuroblastoma [ICD11: 2A00]
Model Name
Human neuroblastoma cells (SH-SY5Y)
Interaction Atlas ID
 LDD0261 
Download The Altas

References

1 Proteome-Wide Profiling of Cellular Targets Modified by Dopamine Metabolites Using a Bio-Orthogonally Functionalized Catecholamine. ACS Chem Biol. 2021 Nov 19;16(11):2581-2594. doi: 10.1021/acschembio.1c00629. Epub 2021 Nov 2.