Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0202
Competitor Name
EV-93
Structure
2D MOL
Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 532.084
Lipid-water partition coefficient (xlogp) 4.8686
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C31H34ClN3O3
Canonical SMILES
[H]c1c([H])c([H])c(N(C(=O)C([H])([H])Cl)C2([H])C([H])([H])C([H])([H])N(C(=O)c3c([H])c([H])c([H])c(N4C([H])([H])C([H])([H])OC([H])([H])C4([H])[H])c3[H])C([H])([H])C2([H])C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])c([H])c1[H]
InChI
InChI=1S/C31H34ClN3O3/c32-22-30(36)35(27-11-5-2-6-12-27)29-14-15-34(23-26(29)20-24-8-3-1-4-9-24)31(37)25-10-7-13-28(21-25)33-16-18-38-19-17-33/h1-13,21,26,29H,14-20,22-23H2/t26-,29+/m1/s1
InChIKey
VUHJYPBEOSTBJQ-UHSQPCAPSA-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

45 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
15-hydroxyprostaglandin dehydrogenase [NAD(+)] (HPGD) LDTP02788 6.26  LDD0527 
5'-nucleotidase domain-containing protein 1 (NT5DC1) LDTP17247 9.36  LDD0514 
6-phosphogluconolactonase (PGLS) LDTP14535 15.25  LDD0514 
Adenosine deaminase 2 (ADA2) LDTP12911 20.00  LDD0527 
ADP-dependent glucokinase (ADPGK) LDTP11127 4.83  LDD0514 
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (CD38) LDTP03458 6.49  LDD0514 
Apoptosis-resistant E3 ubiquitin protein ligase 1 (AREL1) LDTP00514 5.47  LDD0514 
ATPase family AAA domain-containing protein 3B (ATAD3B) LDTP07154 4.26  LDD0514 
Atypical kinase COQ8B, mitochondrial (COQ8B) LDTP10201 4.77; 4.24; 4.24  LDD0514 
Carnitine O-palmitoyltransferase 1, liver isoform (CPT1A) LDTP04358 20.00  LDD0527 
Caspase-8 (CASP8) LDTP06211 13.65  LDD0514 
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B (PDE3B) LDTP05845 5.59  LDD0514 
Cytochrome b5 type B (CYB5B) LDTP00697 20.00  LDD0527 
Dihydroxyacetone phosphate acyltransferase (GNPAT) LDTP00577 9.51  LDD0514 
Dipeptidyl peptidase 1 (CTSC) LDTP04572 4.46  LDD0527 
DNA dC->dU-editing enzyme APOBEC-3C (APOBEC3C) LDTP12539 10.95  LDD0514 
DNA fragmentation factor subunit beta (DFFB) LDTP01394 20.00  LDD0514 
DNA replication licensing factor MCM3 (MCM3) LDTP03316 4.08  LDD0514 
Dol-P-Man:Man(5)GlcNAc(2)-PP-Dol alpha-1,3-mannosyltransferase (ALG3) LDTP09841 7.55  LDD0514 
Glutathione S-transferase 3, mitochondrial (MGST3) LDTP00464 11.27  LDD0527 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 7.42  LDD0514 
GTPase IMAP family member 2 (GIMAP2) LDTP13219 20.00  LDD0527 
Heme oxygenase 2 (HMOX2) LDTP03540 15.01; 12.48  LDD0514 
Mitochondrial coenzyme A diphosphatase NUDT8 (NUDT8) LDTP09598 5.86  LDD0514 
Myotubularin-related protein 1 (MTMR1) LDTP05943 20.00  LDD0514 
Nuclear prelamin A recognition factor (NARF) LDTP13302 16.46  LDD0514 
Palmitoyltransferase ZDHHC20 (ZDHHC20) LDTP07268 20.00  LDD0527 
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (PIN1) LDTP05912 8.97  LDD0514 
Phosphatidate cytidylyltransferase 2 (CDS2) LDTP01649 10.76  LDD0527 
Phosphatidylinositol N-acetylglucosaminyltransferase subunit H (PIGH) LDTP06120 12.84  LDD0527 
Platelet-activating factor acetylhydrolase 2, cytoplasmic (PAFAH2) LDTP10874 9.63  LDD0514 
Probable ATP-dependent RNA helicase DDX60 (DDX60) LDTP08619 5.91  LDD0514 
Prostamide/prostaglandin F synthase (PRXL2B) LDTP09344 7.11  LDD0514 
Proteasome subunit beta type-8 (PSMB8) LDTP03411 5.94  LDD0514 
Pseudouridylate synthase RPUSD2 (RPUSD2) LDTP15370 20.00  LDD0527 
Pyroglutamyl-peptidase 1 (PGPEP1) LDTP12784 5.00  LDD0527 
Rho-related GTP-binding protein RhoH (RHOH) LDTP06441 4.05  LDD0527 
Ribosomal biogenesis protein LAS1L (LAS1L) LDTP14074 4.32  LDD0527 
Serine/threonine-protein kinase STK11 (STK11) LDTP06486 5.69  LDD0514 
Serine/threonine-protein kinase VRK1 (VRK1) LDTP11030 4.95  LDD0527 
Serine/threonine-protein phosphatase CPPED1 (CPPED1) LDTP11107 7.15  LDD0514 
Sterol carrier protein 2 (SCP2) LDTP03163 20.00  LDD0514 
tRNA-uridine aminocarboxypropyltransferase 2 (DTWD2) LDTP15477 4.06  LDD0514 
Tudor-interacting repair regulator protein (NUDT16L1) LDTP11111 13.35  LDD0527 
Tyrosine-protein kinase JAK1 (JAK1) LDTP03230 10.73  LDD0514 
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⏷ Show the Full List of 45 Enzyme
10 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Huntingtin (HTT) LDTP04007 17.36  LDD0514 
Mitochondrial carrier homolog 1 (MTCH1) LDTP12909 8.29  LDD0527 
Molybdate-anion transporter (MFSD5) LDTP07456 4.43  LDD0514 
Phospholipid scramblase 3 (PLSCR3) LDTP12548 4.74  LDD0514 
PRA1 family protein 2 (PRAF2) LDTP01060 5.00  LDD0514 
Probable mitochondrial glutathione transporter SLC25A40 (SLC25A40) LDTP18053 6.32  LDD0527 
Solute carrier family 12 member 9 (SLC12A9) LDTP11397 5.97  LDD0527 
Stimulator of interferon genes protein (STING1) LDTP08344 4.42  LDD0514 
Transmembrane protein 50A (TMEM50A) LDTP01680 15.04  LDD0527 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 18.13  LDD0527 
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⏷ Show the Full List of 10 Transporter and channel
2 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Retinoic acid receptor RXR-beta (RXRB) LDTP03450 4.51  LDD0527 
Signal transducer and activator of transcription 1-alpha/beta (STAT1) LDTP03969 4.41  LDD0514 
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3 Immunoglobulin Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
CD48 antigen (CD48) LDTP02338 8.14; 6.88  LDD0514 
T-cell antigen CD7 (CD7) LDTP02358 4.67  LDD0527 
Tapasin (TAPBP) LDTP00671 12.47  LDD0514 
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1 Cytokine and receptor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
CKLF-like MARVEL transmembrane domain-containing protein 7 (CMTM7) LDTP10323 6.66  LDD0527 
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27 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
BRCA1-associated ATM activator 1 (BRAT1) LDTP07598 6.07  LDD0514 
Calcineurin B homologous protein 3 (TESC) LDTP10140 20.00  LDD0527 
Coiled-coil domain-containing protein 69 (CCDC69) LDTP14369 4.88  LDD0514 
Condensin complex subunit 1 (NCAPD2) LDTP06281 4.41  LDD0514 
DNA fragmentation factor subunit alpha (DFFA) LDTP00239 7.40  LDD0514 
Dynamin-binding protein (DNMBP) LDTP07755 4.80  LDD0514 
Glutathione S-transferase C-terminal domain-containing protein (GSTCD) LDTP17802 4.55  LDD0514 
Golgi-associated plant pathogenesis-related protein 1 (GLIPR2) LDTP11924 4.02  LDD0514 
Kelch-like ECH-associated protein 1 (KEAP1) LDTP06051 5.73  LDD0514 
Lck-interacting transmembrane adapter 1 (LIME1) LDTP11895 4.28  LDD0514 
Lipase maturation factor 2 (LMF2) LDTP15887 9.91  LDD0514 
Malignant fibrous histiocytoma-amplified sequence 1 (MFHAS1) LDTP14042 4.65  LDD0514 
MICOS complex subunit MIC27 (APOOL) LDTP07718 12.97  LDD0527 
OCIA domain-containing protein 2 (OCIAD2) LDTP17157 4.61  LDD0514 
Phosphoinositide 3-kinase regulatory subunit 6 (PIK3R6) LDTP07204 4.05  LDD0514 
Proline-serine-threonine phosphatase-interacting protein 1 (PSTPIP1) LDTP00809 5.88  LDD0514 
Proteasome activator complex subunit 4 (PSME4) LDTP06250 14.63  LDD0514 
Protein THEM6 (THEM6) LDTP19831 4.67  LDD0527 
Receptor expression-enhancing protein 5 (REEP5) LDTP05257 9.34  LDD0514 
Reticulon-4 (RTN4) LDTP12412 15.97  LDD0527 
Solute carrier family 66 member 3 (SLC66A3) LDTP19719 4.26  LDD0514 
TBC1 domain family member 2B (TBC1D2B) LDTP13721 4.05  LDD0514 
TRPM8 channel-associated factor 1 (TCAF1) LDTP14041 5.59  LDD0514 
Uncharacterized protein C15orf39 (C15orf39) LDTP17481 9.56  LDD0514 
Uncharacterized protein C3orf38 (C3orf38) LDTP17182 4.65  LDD0514 
Uncharacterized protein ZSWIM9 (ZSWIM9) LDTP19634 5.55  LDD0514 
UPF0598 protein C8orf82 (C8orf82) LDTP19499 9.15  LDD0514 
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⏷ Show the Full List of 27 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-93
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  LDD0514  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-93
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  LDD0527  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.