Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0100
Competitor Name
EN219
Synonyms
EN219; 380351-29-1; 1-[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-2-chloroethanone; 3,5-bis(4-bromophenyl)-1-(chloroacetyl)-4,5-dihydro-1H-pyrazole; 1-[3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-chloroethanone; 1-(3,5-Bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-chloroethanone; GLXC-26471; STK532807; AKOS001027216; MCULE-3058460714; HY-115715; CS-0202842; G13172; EN300-26479020; Z56823627; 1-[3,5-Bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-chloro-ethanone; 1-[3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-chloroethan-1-one
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 456.6
Lipid-water partition coefficient (xlogp) 4.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C17H13Br2ClN2O
IUPAC Name
1-[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-2-chloroethanone
Canonical SMILES
C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)CCl)C3=CC=C(C=C3)Br
InChI
InChI=1S/C17H13Br2ClN2O/c18-13-5-1-11(2-6-13)15-9-16(22(21-15)17(23)10-20)12-3-7-14(19)8-4-12/h1-8,16H,9-10H2
InChIKey
CXRHMHAKZPJNKS-UHFFFAOYSA-N

The Competitor Interaction Atlas

Probe(s) Related This Competitor

ABPP Probe
Click To Hide/Show 2 Probe Related to This Competitor
Probe Name Structure Concentration Cell-system Ref
IA-alkyne
 Probe Info  		100 uM Human breast cancer cell lysate (231MFP) [1]
EN219-alkyne
 Probe Info  		2 uM Human breast cancer cell lysate (231MFP) [1]

Target(s) List of this Competitor

6 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
60 kDa heat shock protein, mitochondrial (HSPD1) LDTP02522 16.13  LDD0296 
E3 ubiquitin-protein ligase RNF114 (RNF114) LDTP14083 2.18  LDD0296 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 3.52  LDD0298 
Heme oxygenase 2 (HMOX2) LDTP03540 3.89  LDD0298 
Neutral cholesterol ester hydrolase 1 (NCEH1) LDTP07591 4.55  LDD0298 
Prostaglandin E synthase 2 (PTGES2) LDTP12040 5.35  LDD0298 
------------------------------------------------------------------------------------
⏷ Show the Full List of 6 Enzyme
1 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Tubulin beta-1 chain (TUBB1) LDTP11916 8.42  LDD0296 
------------------------------------------------------------------------------------
4 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Arf-GAP with coiled-coil, ANK repeat and PH domain-containing protein 2 (ACAP2) LDTP06302 4.17  LDD0298 
Histone H3.1 (H3C1; H3C2; H3C3; H3C4; H3C6; H3C7; H3C8; H3C10; H3C11; H3C12) LDTP05079 19.34  LDD0296 
Peroxiredoxin-like 2A (PRXL2A) LDTP11140 4.90  LDD0298 
Reticulon-3 (RTN3) LDTP01522 3.47  LDD0298 
------------------------------------------------------------------------------------

Full Information of The Labelling Profiles of This Competitor

EN219-alkyne
 Probe Info 
Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 2 uM
Quantitative Method TMT
Competitor Name EN219
Competitor Concentration 20 uM
In Vitro Experiment Model Model Type
Cell lysate
Derived Tissue
Breast
Disease Model Breast cancer [ICD-11:2C82]
Model Name Human breast cancer cell lysate (231MFP)
Interaction Atlas ID  LDD0298  Download The Altas

IA-alkyne
 Probe Info 
Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 100 uM
Quantitative Method Isotope tag
Experimemt Name ISO-TOP ABPP
Competitor Name EN219
Competitor Concentration 1 uM
In Vitro Experiment Model Model Type
Cell lysate
Derived Tissue
Breast
Disease Model Breast cancer [ICD-11:2C82]
Model Name Human breast cancer cell lysate (231MFP)
Interaction Atlas ID  LDD0296  Download The Altas

References

1 Chemoproteomics-enabled discovery of covalent RNF114-based degraders that mimic natural product function. Cell Chem Biol. 2021 Apr 15;28(4):559-566.e15. doi: 10.1016/j.chembiol.2021.01.005. Epub 2021 Jan 28.