Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0103
Competitor Name
BDHI 10
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 339.189
Lipid-water partition coefficient (xlogp) 2.4717
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C14H15BrN2O3
Canonical SMILES
COc1ccc2c(c1)CCCN2C(=O)C1CC(Br)=NO1
InChI
InChI=1S/C14H15BrN2O3/c1-19-10-4-5-11-9(7-10)3-2-6-17(11)14(18)12-8-13(15)16-20-12/h4-5,7,12H,2-3,6,8H2,1H3
InChIKey
CMPRFVCUVCXDSZ-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

19 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Adenosine deaminase (ADA) LDTP01803 18.94; 18.94  LDD0205 
Adenosine kinase (ADK) LDTP04689 4.78  LDD0205 
ATP-dependent RNA helicase DDX54 (DDX54) LDTP09428 17.77  LDD0205 
Ceramide synthase 5 (CERS5) LDTP08891 7.92  LDD0205 
Cullin-2 (CUL2) LDTP05947 4.96  LDD0205 
E3 ubiquitin-protein ligase HECTD1 (HECTD1) LDTP13574 6.96  LDD0205 
E3 ubiquitin-protein ligase UHRF2 (UHRF2) LDTP10698 8.42  LDD0205 
Glucose 1,6-bisphosphate synthase (PGM2L1) LDTP07561 4.02  LDD0205 
GTPase IMAP family member 2 (GIMAP2) LDTP13219 13.75  LDD0205 
Helicase MOV-10 (MOV10) LDTP12233 6.75  LDD0205 
Lanosterol synthase (LSS) LDTP04183 10.46  LDD0205 
Lysophospholipid acyltransferase 7 (MBOAT7) LDTP10612 9.75  LDD0205 
Mannose-1-phosphate guanyltransferase beta (GMPPB) LDTP14141 9.76  LDD0205 
Monofunctional C1-tetrahydrofolate synthase, mitochondrial (MTHFD1L) LDTP07651 5.15  LDD0205 
Proteasome subunit beta type-3 (PSMB3) LDTP04284 4.03  LDD0205 
RING finger and CHY zinc finger domain-containing protein 1 (RCHY1) LDTP10686 7.44  LDD0205 
Serine--tRNA ligase, cytoplasmic (SARS1) LDTP04265 9.20; 9.20  LDD0205 
Serine/threonine-protein phosphatase 2A regulatory subunit B'' subunit beta (PPP2R3B) LDTP14142 6.68  LDD0205 
Unconventional myosin-VI (MYO6) LDTP13609 5.60  LDD0205 
------------------------------------------------------------------------------------
⏷ Show the Full List of 19 Enzyme
1 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Thioredoxin-interacting protein (TXNIP) LDTP11873 11.35  LDD0205 
------------------------------------------------------------------------------------
2 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Transcription factor E2F4 (E2F4) LDTP06519 4.18  LDD0205 
Transcriptional repressor CTCF (CTCF) LDTP04281 9.68  LDD0205 
------------------------------------------------------------------------------------
13 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Ataxin-7-like protein 3 (ATXN7L3) LDTP06261 5.13  LDD0205 
BAG family molecular chaperone regulator 5 (BAG5) LDTP13507 8.06  LDD0205 
Catenin alpha-1 (CTNNA1) LDTP03711 9.55  LDD0205 
DmX-like protein 1 (DMXL1) LDTP18576 9.47  LDD0205 
Glycogen debranching enzyme (AGL) LDTP03762 10.95  LDD0205 
GRIP and coiled-coil domain-containing protein 2 (GCC2) LDTP08543 13.04  LDD0205 
Intraflagellar transport protein 70B (IFT70B) LDTP15421 12.83  LDD0205 
Kinesin-associated protein 3 (KIFAP3) LDTP09902 5.43  LDD0205 
MAP kinase-activating death domain protein (MADD) LDTP09699 17.47  LDD0205 
MORF4 family associated protein 1 like 2 (MRFAP1L2) LDTP18918 10.43  LDD0205 
Pre-mRNA-splicing factor 38B (PRPF38B) LDTP17266 6.27  LDD0205 
Protein C19orf12 (C19orf12) LDTP12592 7.80  LDD0205 
Signal-induced proliferation-associated 1-like protein 1 (SIPA1L1) LDTP00695 5.94  LDD0205 
------------------------------------------------------------------------------------
⏷ Show the Full List of 13 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 10
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  LDD0205  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.