Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0204
Competitor Name
EV-97
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 (1S,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-VGSWGCGISA-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

35 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
3-phosphoinositide-dependent protein kinase 1 (PDPK1) LDTP00670 8.18  LDD0525 
All-trans-retinol 13,14-reductase (RETSAT) LDTP15097 4.43  LDD0525 
Antigen peptide transporter 2 (TAP2) LDTP05409 20.00  LDD0525 
Caspase-10 (CASP10) LDTP09904 8.50  LDD0525 
Cytochrome b5 type B (CYB5B) LDTP00697 20.00  LDD0525 
Cytochrome c oxidase subunit 6B1 (COX6B1) LDTP02748 5.12  LDD0525 
DCN1-like protein 4 (DCUN1D4) LDTP09799 20.00  LDD0525 
Dehydrogenase/reductase SDR family member 13 (DHRS13) LDTP15154 5.48  LDD0525 
Dihydroxyacetone phosphate acyltransferase (GNPAT) LDTP00577 6.37  LDD0524 
Disintegrin and metalloproteinase domain-containing protein 19 (ADAM19) LDTP11678 9.06  LDD0525 
E1A-binding protein p400 (EP400) LDTP10532 4.66  LDD0525 
E3 ubiquitin-protein ligase listerin (LTN1) LDTP01430 20.00  LDD0525 
E3 ubiquitin-protein ligase UBR1 (UBR1) LDTP08564 7.56  LDD0525 
GTPase IMAP family member 2 (GIMAP2) LDTP13219 8.69  LDD0524 
Heme oxygenase 2 (HMOX2) LDTP03540 16.06  LDD0524 
Inhibitor of nuclear factor kappa-B kinase subunit beta (IKBKB) LDTP00475 5.79  LDD0524 
Inositol polyphosphate-4-phosphatase type I A (INPP4A) LDTP10676 5.70  LDD0525 
Malonyl-CoA decarboxylase, mitochondrial (MLYCD) LDTP01686 4.51  LDD0525 
Microtubule-associated serine/threonine-protein kinase 3 (MAST3) LDTP00947 5.54  LDD0525 
Mitochondrial coenzyme A diphosphatase NUDT8 (NUDT8) LDTP09598 20.00  LDD0525 
Mitochondrial ribonuclease P catalytic subunit (PRORP) LDTP00536 12.81  LDD0525 
Monofunctional C1-tetrahydrofolate synthase, mitochondrial (MTHFD1L) LDTP07651 4.70  LDD0525 
Multifunctional protein CAD (CAD) LDTP03401 5.59  LDD0525 
Myotubularin-related protein 12 (MTMR12) LDTP11617 4.26  LDD0525 
Nuclear pore complex protein Nup98-Nup96 (NUP98) LDTP04547 5.09  LDD0525 
Peroxynitrite isomerase THAP4 (THAP4) LDTP09729 4.26  LDD0525 
Phospholipase A and acyltransferase 4 (PLAAT4) LDTP13511 6.74  LDD0525 
Platelet-activating factor acetylhydrolase 2, cytoplasmic (PAFAH2) LDTP10874 14.72  LDD0525 
Prostaglandin E synthase 2 (PTGES2) LDTP12040 20.00  LDD0524 
Serine--tRNA ligase, mitochondrial (SARS2) LDTP12319 12.96  LDD0525 
Serine-protein kinase ATM (ATM) LDTP05822 8.05  LDD0525 
Threonine synthase-like 1 (THNSL1) LDTP19669 4.03  LDD0525 
Transformation/transcription domain-associated protein (TRRAP) LDTP14034 5.59  LDD0525 
tRNA (adenine(58)-N(1))-methyltransferase catalytic subunit TRMT61A (TRMT61A) LDTP10320 7.51  LDD0524 
tRNA-splicing endonuclease subunit Sen54 (TSEN54) LDTP08125 4.86  LDD0525 
------------------------------------------------------------------------------------
⏷ Show the Full List of 35 Enzyme
9 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Cytoskeleton-associated protein 4 (CKAP4) LDTP05511 7.48  LDD0524 
Gasdermin-D (GSDMD) LDTP04801 16.96  LDD0525 
Inositol 1,4,5-trisphosphate receptor type 2 (ITPR2) LDTP06152 14.56  LDD0525 
Molybdate-anion transporter (MFSD5) LDTP07456 5.04  LDD0525 
Multiple C2 and transmembrane domain-containing protein 2 (MCTP2) LDTP07370 14.60  LDD0525 
Nuclear envelope pore membrane protein POM 121 (POM121) LDTP10378 4.89  LDD0524 
Phospholipid scramblase 3 (PLSCR3) LDTP12548 9.05  LDD0525 
Protein RFT1 homolog (RFT1) LDTP10073 12.76  LDD0525 
Rapamycin-insensitive companion of mTOR (RICTOR) LDTP07626 6.40  LDD0525 
------------------------------------------------------------------------------------
⏷ Show the Full List of 9 Transporter and channel
2 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Metastasis-associated protein MTA3 (MTA3) LDTP11193 5.54  LDD0524 
Zinc finger MYM-type protein 1 (ZMYM1) LDTP19380 12.73  LDD0525 
------------------------------------------------------------------------------------
2 Immunoglobulin Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Palladin (PALLD) LDTP09680 4.66  LDD0525 
Tapasin (TAPBP) LDTP00671 20.00  LDD0525 
------------------------------------------------------------------------------------
25 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
BRCA1-associated ATM activator 1 (BRAT1) LDTP07598 8.05  LDD0524 
Calcineurin B homologous protein 3 (TESC) LDTP10140 5.48  LDD0525 
Centrosomal protein of 85 kDa (CEP85) LDTP07522 20.00  LDD0525 
Condensin complex subunit 1 (NCAPD2) LDTP06281 4.83  LDD0524 
Condensin-2 complex subunit D3 (NCAPD3) LDTP03994 4.51  LDD0525 
Golgin subfamily B member 1 (GOLGB1) LDTP06210 4.79  LDD0525 
Kinetochore-associated protein DSN1 homolog (DSN1) LDTP11896 13.76  LDD0525 
Lipase maturation factor 2 (LMF2) LDTP15887 5.39  LDD0525 
MAD2L1-binding protein (MAD2L1BP) LDTP06276 4.53  LDD0525 
MMS19 nucleotide excision repair protein homolog (MMS19) LDTP10843 10.71  LDD0525 
NFU1 iron-sulfur cluster scaffold homolog, mitochondrial (NFU1) LDTP13622 7.80  LDD0525 
NLR family member X1 (NLRX1) LDTP08248 18.92  LDD0524 
OCIA domain-containing protein 1 (OCIAD1) LDTP12755 4.03  LDD0525 
Peroxisomal membrane protein 11B (PEX11B) LDTP01750 7.54  LDD0525 
Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein (PREX1) LDTP09399 16.45  LDD0524 
Plexin-D1 (PLXND1) LDTP14047 7.48  LDD0525 
Programmed cell death 6-interacting protein (PDCD6IP) LDTP09580 11.08  LDD0525 
Receptor expression-enhancing protein 5 (REEP5) LDTP05257 20.00  LDD0525 
Reticulon-4 (RTN4) LDTP12412 14.00  LDD0525 
Sister chromatid cohesion protein PDS5 homolog A (PDS5A) LDTP06684 8.80  LDD0524 
Solute carrier family 66 member 3 (SLC66A3) LDTP19719 20.00; 4.77  LDD0525 
UV radiation resistance-associated gene protein (UVRAG) LDTP13090 15.09  LDD0524 
Zinc finger C3H1 domain-containing protein (ZFC3H1) LDTP00941 20.00  LDD0525 
Zinc finger CCCH domain-containing protein 7B (ZC3H7B) LDTP13245 9.58  LDD0525 
Zinc finger ZZ-type and EF-hand domain-containing protein 1 (ZZEF1) LDTP00687 20.00  LDD0525 
------------------------------------------------------------------------------------
⏷ Show the Full List of 25 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-97
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  LDD0524  Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 100 uM
Quantitative Method TMT
Competitor Name EV-97
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  LDD0525  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.