Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0106
Competitor Name
BDHI 18
Synonyms
3-Bromo-5-(4-methoxyphenyl)-4,5-dihydroisoxazole; 1120215-02-2; 3-bromo-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole; CHEMBL3797409; SCHEMBL12924533; 3-Bromo-5-(4-methoxyphenyl)-4,5-dihydroisoxazole 95+%; DTXSID40656828; AKOS015851861; DB-060149; J-511964; W-204767; 3-BroMo-5-(4-Methoxyphenyl)-4,5-dihydro-isoxazole
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 256.1
Lipid-water partition coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C10H10BrNO2
IUPAC Name
3-bromo-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
Canonical SMILES
COC1=CC=C(C=C1)C2CC(=NO2)Br
InChI
InChI=1S/C10H10BrNO2/c1-13-8-4-2-7(3-5-8)9-6-10(11)12-14-9/h2-5,9H,6H2,1H3
InChIKey
GPKZAXMPADQPAB-UHFFFAOYSA-N

The Competitor Interaction Atlas

Probe(s) Related This Competitor

ABPP Probe
Click To Hide/Show 1 Probe Related to This Competitor
Probe Name Structure Concentration Cell-system Ref
DBIA
 Probe Info  		50 mM Human T acute lymphoblastic leukemia cell lysate (Jurkat) [1]

Target(s) List of this Competitor

5 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Cleavage and polyadenylation specificity factor subunit 3 (CPSF3) LDTP13449 18.80  LDD0208 
Glutathione S-transferase P (GSTP1) LDTP02333 6.47  LDD0208 
Non-receptor tyrosine-protein kinase TYK2 (TYK2) LDTP03497 13.34  LDD0208 
Phosphoglycerate kinase 1 (PGK1) LDTP01787 13.83  LDD0208 
Sorbitol dehydrogenase (SORD) LDTP05258 13.98  LDD0208 
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1 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Protein RFT1 homolog (RFT1) LDTP10073 11.22  LDD0208 
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2 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Transcriptional repressor CTCF (CTCF) LDTP04281 9.68  LDD0208 
Zinc finger protein 627 (ZNF627) LDTP17518 13.03  LDD0208 
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9 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Eukaryotic translation initiation factor 3 subunit A (EIF3A) LDTP06055 15.04  LDD0208 
Glutathione S-transferase C-terminal domain-containing protein (GSTCD) LDTP17802 6.59  LDD0208 
Integrator complex subunit 10 (INTS10) LDTP16111 6.44  LDD0208 
Integrator complex subunit 3 (INTS3) LDTP07333 16.18  LDD0208 
Integrator complex subunit 7 (INTS7) LDTP12678 7.01  LDD0208 
MORF4 family associated protein 1 like 2 (MRFAP1L2) LDTP18918 10.43  LDD0208 
Phosphatidylethanolamine-binding protein 1 (PEBP1) LDTP03520 6.44  LDD0208 
Protein furry homolog-like (FRYL) LDTP01460 6.20  LDD0208 
Protein pelota homolog (PELO) LDTP11138 11.70  LDD0208 
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⏷ Show the Full List of 9 Other

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 50 mM
Quantitative Method TMT
Competitor Name BDHI 18
Competitor Concentration 50 mM
In Vitro Experiment Model Model Type
Cell lysate
Derived Tissue
Bone marrow
Disease Model T acute lymphoblastic leukemia [ICD-11:2A90]
Model Name Human T acute lymphoblastic leukemia cell lysate (Jurkat)
Interaction Atlas ID  LDD0208  Download The Altas

References

1 Covalent Inhibition by a Natural Product-Inspired Latent Electrophile. J Am Chem Soc. 2023 May 24;145(20):11097-11109. doi: 10.1021/jacs.3c00598. Epub 2023 May 15.