Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0206
Competitor Name
EV-99
Synonyms
SCHEMBL25511539
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 404.4
Lipid-water partition coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C23H20N2O5
IUPAC Name
methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2-prop-2-enoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
Canonical SMILES
COC(=O)C1CC2=C(C(N1C(=O)C=C)C3=CC4=C(C=C3)OCO4)NC5=CC=CC=C25
InChI
InChI=1S/C23H20N2O5/c1-3-20(26)25-17(23(27)28-2)11-15-14-6-4-5-7-16(14)24-21(15)22(25)13-8-9-18-19(10-13)30-12-29-18/h3-10,17,22,24H,1,11-12H2,2H3/t17-,22-/m1/s1
InChIKey
BZODWEHRZJOVCH-VGOFRKELSA-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

12 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (CD38) LDTP03458 6.50  LDD0521 
Dihydroxyacetone phosphate acyltransferase (GNPAT) LDTP00577 8.54  LDD0521 
E3 ubiquitin-protein ligase UBR1 (UBR1) LDTP08564 15.74  LDD0521 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 17.67  LDD0521 
GTPase IMAP family member 2 (GIMAP2) LDTP13219 20.00  LDD0521 
Heme oxygenase 2 (HMOX2) LDTP03540 20.00  LDD0521 
LIM domain kinase 1 (LIMK1) LDTP04573 4.46  LDD0521 
Mitochondrial coenzyme A diphosphatase NUDT8 (NUDT8) LDTP09598 14.24  LDD0521 
Myotubularin-related protein 12 (MTMR12) LDTP11617 15.42  LDD0521 
NAD(+) hydrolase SARM1 (SARM1) LDTP07640 5.44  LDD0521 
Prostaglandin E synthase 2 (PTGES2) LDTP12040 10.58  LDD0521 
Tyrosine-protein kinase Blk (BLK) LDTP04414 20.00  LDD0521 
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⏷ Show the Full List of 12 Enzyme
2 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Nuclear envelope pore membrane protein POM 121 (POM121) LDTP10378 9.06  LDD0521 
Sorting nexin-8 (SNX8) LDTP14173 6.88  LDD0521 
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7 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Condensin-2 complex subunit D3 (NCAPD3) LDTP03994 6.25  LDD0521 
Dynactin subunit 4 (DCTN4) LDTP13402 8.10  LDD0521 
NLR family member X1 (NLRX1) LDTP08248 5.29  LDD0521 
Plexin-D1 (PLXND1) LDTP14047 20.00  LDD0521 
Receptor expression-enhancing protein 5 (REEP5) LDTP05257 11.30  LDD0521 
TBC1 domain family member 2B (TBC1D2B) LDTP13721 4.11  LDD0521 
Zinc finger C3H1 domain-containing protein (ZFC3H1) LDTP00941 7.95  LDD0521 
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⏷ Show the Full List of 7 Other

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-99
Competitor Concentration 20 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  LDD0521  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.