Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0201
Competitor Name
EV-3
Synonyms
SCHEMBL23259438; DB-392855; 2-chloro-1-[4-[[4-(4-pyridinyl)phenyl]sulfonyl]-1-piperazinyl]Ethanone; 2639633-92-2
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 379.9
Lipid-water partition coefficient (xlogp) 1.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C17H18ClN3O3S
IUPAC Name
2-chloro-1-[4-(4-pyridin-4-ylphenyl)sulfonylpiperazin-1-yl]ethanone
Canonical SMILES
C1CN(CCN1C(=O)CCl)S(=O)(=O)C2=CC=C(C=C2)C3=CC=NC=C3
InChI
InChI=1S/C17H18ClN3O3S/c18-13-17(22)20-9-11-21(12-10-20)25(23,24)16-3-1-14(2-4-16)15-5-7-19-8-6-15/h1-8H,9-13H2
InChIKey
WDIWPFBUNOJMFH-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
IA-alkyne
 Probe Info  		100 uM Human normal cell lysate (T cell) [1]

Target(s) List of this Competitor

36 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
5'-nucleotidase domain-containing protein 1 (NT5DC1) LDTP17247 5.30  LDD0515 
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (CD38) LDTP03458 4.61  LDD0515 
Aldo-keto reductase family 1 member B1 (AKR1B1) LDTP02765 4.52  LDD0528 
Baculoviral IAP repeat-containing protein 2 (BIRC2) LDTP05893 20.00  LDD0528 
Baculoviral IAP repeat-containing protein 3 (BIRC3) LDTP05892 5.15  LDD0515 
Bleomycin hydrolase (BLMH) LDTP05992 8.08  LDD0528 
Ceramide kinase (CERK) LDTP09391 5.08  LDD0515 
Deaminated glutathione amidase (NIT1) LDTP15311 4.01  LDD0515 
Desumoylating isopeptidase 1 (DESI1) LDTP07407 13.81  LDD0528 
DNA dC->dU-editing enzyme APOBEC-3C (APOBEC3C) LDTP12539 4.11  LDD0528 
DNA fragmentation factor subunit beta (DFFB) LDTP01394 8.45  LDD0528 
G/T mismatch-specific thymine DNA glycosylase (TDG) LDTP05927 5.89  LDD0528 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 5.77  LDD0515 
Heme oxygenase 2 (HMOX2) LDTP03540 7.75  LDD0515 
Inositol polyphosphate-4-phosphatase type I A (INPP4A) LDTP10676 10.67  LDD0528 
Isochorismatase domain-containing protein 2 (ISOC2) LDTP18123 17.27  LDD0528 
Methylated-DNA--protein-cysteine methyltransferase (MGMT) LDTP02852 6.42  LDD0515 
Mitochondrial coenzyme A diphosphatase NUDT8 (NUDT8) LDTP09598 12.37  LDD0515 
Myotubularin-related protein 1 (MTMR1) LDTP05943 20.00  LDD0528 
Non-receptor tyrosine-protein kinase TYK2 (TYK2) LDTP03497 5.02  LDD0515 
Nuclear prelamin A recognition factor (NARF) LDTP13302 5.21  LDD0515 
Omega-amidase NIT2 (NIT2) LDTP12428 20.00  LDD0515 
Peroxisomal leader peptide-processing protease (TYSND1) LDTP06720 4.48  LDD0515 
Peroxisomal trans-2-enoyl-CoA reductase (PECR) LDTP11437 5.93  LDD0528 
Phosphatidate cytidylyltransferase 2 (CDS2) LDTP01649 5.10  LDD0528 
Polyamine-transporting ATPase 13A2 (ATP13A2) LDTP12386 8.48  LDD0515 
Probable ATP-dependent RNA helicase DDX60 (DDX60) LDTP08619 4.66  LDD0515 
Prostaglandin E synthase 2 (PTGES2) LDTP12040 8.54  LDD0515 
Prostamide/prostaglandin F synthase (PRXL2B) LDTP09344 6.49  LDD0515 
Proteasome subunit alpha type-1 (PSMA1) LDTP03330 8.84  LDD0528 
Protein mono-ADP-ribosyltransferase PARP10 (PARP10) LDTP06900 5.19  LDD0515 
Pyroglutamyl-peptidase 1 (PGPEP1) LDTP12784 6.29  LDD0515 
Serine-protein kinase ATM (ATM) LDTP05822 8.85  LDD0515 
Sterol carrier protein 2 (SCP2) LDTP03163 4.41  LDD0515 
Thioredoxin domain-containing protein 12 (TXNDC12) LDTP01707 5.97  LDD0515 
Ubiquitin carboxyl-terminal hydrolase 16 (USP16) LDTP14159 8.52  LDD0515 
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⏷ Show the Full List of 36 Enzyme
2 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Beclin 1-associated autophagy-related key regulator (ATG14) LDTP07793 5.46  LDD0515 
Granulysin (GNLY) LDTP03194 10.70  LDD0528 
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1 Immunoglobulin Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
CD48 antigen (CD48) LDTP02338 6.25  LDD0515 
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5 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Conserved oligomeric Golgi complex subunit 3 (COG3) LDTP10452 7.59  LDD0528 
Glutathione S-transferase C-terminal domain-containing protein (GSTCD) LDTP17802 10.29  LDD0515 
Polymerase delta-interacting protein 2 (POLDIP2) LDTP13906 5.34  LDD0515 
Ubiquitin-associated and SH3 domain-containing protein A (UBASH3A) LDTP04780 7.97  LDD0528 
Zinc finger protein 346 (ZNF346) LDTP13515 6.88  LDD0515 
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Full Information of The Labelling Profiles of This Competitor

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 TMT
Competitor Name EV-3
Competitor Concentration 10 uM
In Vitro Experiment Model Model Type
Cell lysate
Derived Tissue
Peripheral blood
Disease Model Normal
Model Name Human normal cell lysate (T cell)
Interaction Atlas ID  LDD0515  Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 100 uM
Quantitative Method Isotope tag
Competitor Name EV-3
Competitor Concentration 10 uM
In Vitro Experiment Model Model Type
Cell lysate
Derived Tissue
Peripheral blood
Disease Model Normal
Model Name Human normal cell lysate (T cell)
Interaction Atlas ID  LDD0528  Download The Altas

References

1 An Activity-Guided Map of Electrophile-Cysteine Interactions in Primary Human T Cells. Cell. 2020 Aug 20;182(4):1009-1026.e29. doi: 10.1016/j.cell.2020.07.001. Epub 2020 Jul 29.