Details of the Probe

General Information of Probe

Probe ID
LDPC0055
Probe Name
D5yne
Probe Type
ABPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 421.324
Lipid-water partition coefficient (xlogp) 2.796
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C21H22Cl2N2O3
Canonical SMILES
C#Cc1cc(Cl)c(Cl)c(C2CC(=O)C(=CNCCN3CCOCC3)C(=O)C2)c1
InChI
InChI=1S/C21H22Cl2N2O3/c1-2-14-9-16(21(23)18(22)10-14)15-11-19(26)17(20(27)12-15)13-24-3-4-25-5-7-28-8-6-25/h1,9-10,13,15,24H,3-8,11-12H2/b17-13-
InChIKey
HCYORLAKXXXUTR-LGMDPLHJSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

12 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 2.69  LDD0055 
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 2.69  LDD0055 
Casein kinase II subunit alpha' (CSNK2A2) LDTP03011 1.65  LDD0055 
Casein kinase II subunit alpha' (CSNK2A2) LDTP03011 1.65  LDD0055 
Epoxide hydrolase 1 (EPHX1) LDTP02175 2.56  LDD0055 
Epoxide hydrolase 1 (EPHX1) LDTP02175 2.56  LDD0055 
Phosphoglucomutase-1 (PGM1) LDTP03818 1.90  LDD0055 
Phosphoglucomutase-1 (PGM1) LDTP03818 1.90  LDD0055 
Polypeptide N-acetylgalactosaminyltransferase 2 (GALNT2) LDTP05623 1.98  LDD0055 
Polypeptide N-acetylgalactosaminyltransferase 2 (GALNT2) LDTP05623 1.98  LDD0055 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 7.53  LDD0055 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 7.53  LDD0055 
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⏷ Show the Full List of 12 Enzyme
4 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Interferon-induced transmembrane protein 3 (IFITM3) LDTP05302 1.65  LDD0055 
Interferon-induced transmembrane protein 3 (IFITM3) LDTP05302 1.65  LDD0055 
Lysosome membrane protein 2 (SCARB2) LDTP06034 11.37  LDD0055 
Lysosome membrane protein 2 (SCARB2) LDTP06034 11.37  LDD0055 
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16 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Glycolipid transfer protein (GLTP) LDTP12891 3.73  LDD0055 
Glycolipid transfer protein (GLTP) LDTP12891 3.73  LDD0055 
Large ribosomal subunit protein P2 (RPLP2) LDTP02108 1.66  LDD0055 
Large ribosomal subunit protein P2 (RPLP2) LDTP02108 1.66  LDD0055 
Microtubule-associated proteins 1A/1B light chain 3B (MAP1LC3B) LDTP11637 K49(100.00)  LDD0055 
Microtubule-associated proteins 1A/1B light chain 3B (MAP1LC3B) LDTP11637 K49(100.00)  LDD0055 
Nicastrin (NCSTN) LDTP09787 1.66  LDD0055 
Nicastrin (NCSTN) LDTP09787 1.66  LDD0055 
Protein jagunal homolog 1 (JAGN1) LDTP08904 1.58  LDD0055 
Protein jagunal homolog 1 (JAGN1) LDTP08904 1.58  LDD0055 
Syntaxin-12 (STX12) LDTP08389 2.26  LDD0055 
Syntaxin-12 (STX12) LDTP08389 2.26  LDD0055 
Syntaxin-7 (STX7) LDTP00632 3.76  LDD0055 
Syntaxin-7 (STX7) LDTP00632 3.76  LDD0055 
Transmembrane protein 43 (TMEM43) LDTP11210 1.52  LDD0055 
Transmembrane protein 43 (TMEM43) LDTP11210 1.52  LDD0055 
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⏷ Show the Full List of 16 Other

Competitor(s) Related To This Probe

Competitor ID Name Concentration Cell-system Ref
 LDCM0095  DC-LC3IN-D5 25 uM Human endocervical adenocarcinoma cells (HeLa) [1]

Full Information of The Labelling Profiles of This Probe

Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
5 uM
Quantitative Method
LFQ
Competitor Name
DC-LC3IN-D5
 Competitor Info 
Competitor Concentration
25 uM
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Cervix uteri
Disease Model
Endocervical adenocarcinoma [ICD-11:2C77]
Model Name
Human endocervical adenocarcinoma cells (HeLa)
Interaction Atlas ID
 LDD0055 
Download The Altas

References

1 Inhibition of Autophagy by a Small Molecule through Covalent Modification of the LC3 Protein. Angew Chem Int Ed Engl. 2021 Dec 6;60(50):26105-26114. doi: 10.1002/anie.202109464. Epub 2021 Nov 5.
Mass spectrometry data entry: PXD026874