Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0203
Competitor Name
EV-96
Synonyms
SCHEMBL25511531
Structure
3D MOL 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,3S)-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+/m0/s1
InChIKey
BZODWEHRZJOVCH-HTAPYJJXSA-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

27 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (CD38) LDTP03458 4.06  LDD0523 
Calcium-independent phospholipase A2-gamma (PNPLA8) LDTP12318 5.24  LDD0523 
Carnitine O-palmitoyltransferase 1, liver isoform (CPT1A) LDTP04358 4.27  LDD0523 
Caspase-2 (CASP2) LDTP03985 13.20  LDD0523 
Cytochrome b5 type B (CYB5B) LDTP00697 8.09  LDD0523 
Dehydrogenase/reductase SDR family member 13 (DHRS13) LDTP15154 6.24  LDD0523 
Dihydroxyacetone phosphate acyltransferase (GNPAT) LDTP00577 19.42  LDD0523 
Disintegrin and metalloproteinase domain-containing protein 19 (ADAM19) LDTP11678 10.32  LDD0523 
Dol-P-Man:Man(5)GlcNAc(2)-PP-Dol alpha-1,3-mannosyltransferase (ALG3) LDTP09841 4.79  LDD0523 
E3 ubiquitin-protein ligase RNF213 (RNF213) LDTP07283 5.01  LDD0523 
Fatty acid synthase (FASN) LDTP04243 5.39  LDD0523 
GTPase IMAP family member 2 (GIMAP2) LDTP13219 9.69  LDD0522 
Heme oxygenase 2 (HMOX2) LDTP03540 7.17  LDD0522 
Histone-lysine N-methyltransferase SUV39H2 (SUV39H2) LDTP11953 4.16  LDD0523 
LIM domain kinase 1 (LIMK1) LDTP04573 6.57  LDD0523 
Mitochondrial coenzyme A diphosphatase NUDT8 (NUDT8) LDTP09598 20.00  LDD0523 
Mitochondrial ribonuclease P catalytic subunit (PRORP) LDTP00536 4.13  LDD0523 
Monofunctional C1-tetrahydrofolate synthase, mitochondrial (MTHFD1L) LDTP07651 20.00  LDD0523 
Myotubularin-related protein 12 (MTMR12) LDTP11617 20.00  LDD0523 
Nuclear prelamin A recognition factor (NARF) LDTP13302 5.66  LDD0523 
Nucleoside diphosphate-linked moiety X motif 6 (NUDT6) LDTP04559 4.72  LDD0523 
Patatin-like phospholipase domain-containing protein 2 (PNPLA2) LDTP10077 4.86  LDD0523 
Probable arginine--tRNA ligase, mitochondrial (RARS2) LDTP07092 4.27  LDD0523 
Probable ubiquitin carboxyl-terminal hydrolase FAF-Y (USP9Y) LDTP00300 10.49  LDD0523 
Prostaglandin E synthase 2 (PTGES2) LDTP12040 7.75  LDD0522 
Serine-protein kinase ATM (ATM) LDTP05822 13.45  LDD0523 
Tyrosine-protein kinase Tec (TEC) LDTP03989 20.00  LDD0523 
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⏷ Show the Full List of 27 Enzyme
4 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Molybdate-anion transporter (MFSD5) LDTP07456 4.22  LDD0523 
Nuclear envelope pore membrane protein POM 121 (POM121) LDTP10378 4.52  LDD0522 
Phospholipid scramblase 3 (PLSCR3) LDTP12548 8.03  LDD0523 
Solute carrier family 12 member 9 (SLC12A9) LDTP11397 5.93  LDD0523 
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2 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
AT-rich interactive domain-containing protein 5A (ARID5A) LDTP05415 4.43  LDD0523 
Bromodomain-containing protein 1 (BRD1) LDTP01653 4.39  LDD0523 
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2 Immunoglobulin Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Cytotoxic and regulatory T-cell molecule (CRTAM) LDTP01662 5.74  LDD0523 
Tapasin (TAPBP) LDTP00671 16.94  LDD0523 
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1 Cytokine and receptor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Interleukin-2 receptor subunit beta (IL2RB) LDTP02747 5.70  LDD0523 
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20 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
BRCA1-associated ATM activator 1 (BRAT1) LDTP07598 4.80  LDD0523 
Centrosomal protein of 85 kDa (CEP85) LDTP07522 5.88  LDD0523 
Condensin-2 complex subunit D3 (NCAPD3) LDTP03994 7.23  LDD0523 
Golgin subfamily B member 1 (GOLGB1) LDTP06210 20.00  LDD0523 
Lipase maturation factor 2 (LMF2) LDTP15887 4.93  LDD0523 
Mediator of RNA polymerase II transcription subunit 13 (MED13) LDTP13307 5.45  LDD0523 
Meiosis regulator and mRNA stability factor 1 (MARF1) LDTP14053 4.47  LDD0523 
Mini-chromosome maintenance complex-binding protein (MCMBP) LDTP11197 5.45  LDD0523 
NLR family member X1 (NLRX1) LDTP08248 20.00  LDD0523 
Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein (PREX1) LDTP09399 4.34  LDD0523 
Plexin-D1 (PLXND1) LDTP14047 12.61  LDD0522 
Protein FAM118B (FAM118B) LDTP15852 6.59  LDD0523 
Protein HIRA (HIRA) LDTP04602 4.19  LDD0523 
Receptor expression-enhancing protein 5 (REEP5) LDTP05257 9.19  LDD0522 
Reticulon-4 (RTN4) LDTP12412 4.00  LDD0522 
RILP-like protein 1 (RILPL1) LDTP06962 4.19  LDD0523 
Solute carrier family 66 member 3 (SLC66A3) LDTP19719 4.86; 6.82  LDD0522 
Son of sevenless homolog 1 (SOS1) LDTP05535 7.45  LDD0523 
Spermatogenesis-associated protein 2 (SPATA2) LDTP13612 5.07  LDD0523 
Zinc finger C3H1 domain-containing protein (ZFC3H1) LDTP00941 10.78  LDD0523 
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⏷ Show the Full List of 20 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-96
Competitor Concentration 5 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  LDD0522  Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 100 uM
Quantitative Method TMT
Competitor Name EV-96
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  LDD0523  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.