Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0092
Competitor Name
Amine 8
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 342.399
Lipid-water partition coefficient (xlogp) 1.8181
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C18H22N4O3
Canonical SMILES
COCC(COC)n1c(-c2ccc(=O)n(C)c2)nc2ccc(N)cc21
InChI
InChI=1S/C18H22N4O3/c1-21-9-12(4-7-17(21)23)18-20-15-6-5-13(19)8-16(15)22(18)14(10-24-2)11-25-3/h4-9,14H,10-11,19H2,1-3H3
InChIKey
RNTJYPPCMDEFAA-UHFFFAOYSA-N

The Competitor Interaction Atlas

Probe(s) Related This Competitor

PAL-AfBPP Probe
Click To Hide/Show 2 Probe Related to This Competitor
Probe Name Structure Concentration Cell-system Ref
8df
 Probe Info  		1 uM Human acute myeloid leukemia cells (HL-60) [1]
8ef
 Probe Info  		1 uM Human acute myeloid leukemia cells (HL-60) [1]

Target(s) List of this Competitor

1 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
FACT complex subunit SPT16 (SUPT16H) LDTP14109 3.56  LDD0251 
------------------------------------------------------------------------------------
1 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Zinc finger MYM-type protein 1 (ZMYM1) LDTP19380 2.68  LDD0251 
------------------------------------------------------------------------------------
3 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Bromodomain-containing protein 2 (BRD2) LDTP03322 3.27  LDD0250 
Bromodomain-containing protein 3 (BRD3) LDTP06304 5.70  LDD0250 
Bromodomain-containing protein 4 (BRD4) LDTP01074 3.73  LDD0250 
------------------------------------------------------------------------------------

Full Information of The Labelling Profiles of This Competitor

Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 1 uM
Quantitative Method TMT
Competitor Name Amine 8
Competitor Concentration 50 uM
In Vitro Experiment Model Model Type
Living cell
Derived Tissue
Peripheral blood
Disease Model Acute myeloid leukemia [ICD-11:2A60]
Model Name Human acute myeloid leukemia cells (HL-60)
Interaction Atlas ID  LDD0250  Download The Altas
Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 1 uM
Quantitative Method TMT
Competitor Name Amine 8
Competitor Concentration 50 uM
In Vitro Experiment Model Model Type
Living cell
Derived Tissue
Peripheral blood
Disease Model Acute myeloid leukemia [ICD-11:2A60]
Model Name Human acute myeloid leukemia cells (HL-60)
Interaction Atlas ID  LDD0251  Download The Altas

References

1 One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics. Chemistry. 2021 Dec 20;27(71):17880-17888. doi: 10.1002/chem.202102036. Epub 2021 Sep 14.