Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0568
Competitor Name
Fragment6
Synonyms
894351-84-9; (1E)-N-METHYL-2-[1-(PHENYLMETHYL)-1H-INDOL-5-YL]ETHENESULFONAMIDE; (E)-2-(1-Benzyl-1H-indol-5-yl)-N-methylethenesulfonamide; SCHEMBL14207389; Ethenesulfonamide,N-methyl-2-[1-(phenylmethyl)-1H-indol-5-yl]-, (1E)-; DB-257411; (E)-2-(1-benzylindol-5-yl)-N-methylethenesulfonamide
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 326.4
Lipid-water partition coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C18H18N2O2S
IUPAC Name
(E)-2-(1-benzylindol-5-yl)-N-methylethenesulfonamide
Canonical SMILES
CNS(=O)(=O)C=CC1=CC2=C(C=C1)N(C=C2)CC3=CC=CC=C3
InChI
InChI=1S/C18H18N2O2S/c1-19-23(21,22)12-10-15-7-8-18-17(13-15)9-11-20(18)14-16-5-3-2-4-6-16/h2-13,19H,14H2,1H3/b12-10+
InChIKey
CGQXKKYAWNNJJX-ZRDIBKRKSA-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 breast adenocarcinoma cell lysate (MDA-MB-231) [1]

Target(s) List of this Competitor

74 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
26S proteasome regulatory subunit 10B (PSMC6) LDTP04987 1.10; 1.09  LDD1382 
26S proteasome regulatory subunit 6B (PSMC4) LDTP04061 1.18  LDD1382 
3-hydroxyacyl-CoA dehydrogenase type-2 (HSD17B10) LDTP10954 1.19  LDD1382 
3-ketoacyl-CoA thiolase, mitochondrial (ACAA2) LDTP03998 1.14  LDD1382 
60 kDa heat shock protein, mitochondrial (HSPD1) LDTP02522 1.22  LDD1382 
Acetyl-CoA acetyltransferase, mitochondrial (ACAT1) LDTP03291 1.10; 1.04; 1.09 ...  LDD1382 
Aldo-keto reductase family 1 member B1 (AKR1B1) LDTP02765 1.28  LDD1382 
ATPase WRNIP1 (WRNIP1) LDTP10801 1.06  LDD1382 
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (PAICS) LDTP03159 1.11  LDD1382 
Bleomycin hydrolase (BLMH) LDTP05992 1.58  LDD1382 
C-1-tetrahydrofolate synthase, cytoplasmic (MTHFD1) LDTP02580 1.09  LDD1382 
Calpain-2 catalytic subunit (CAPN2) LDTP02911 1.15  LDD1382 
Cathepsin D (CTSD) LDTP02198 1.35  LDD1382 
Cathepsin Z (CTSZ) LDTP13147 1.66  LDD1382 
Cell cycle checkpoint control protein RAD9A (RAD9A) LDTP10929 1.21  LDD1382 
Cleavage and polyadenylation specificity factor subunit 3 (CPSF3) LDTP13449 1.53  LDD1382 
Cyclin-dependent kinase 19 (CDK19) LDTP11340 0.80  LDD1382 
Cytidine deaminase (CDA) LDTP03642 0.73  LDD1382 
D-3-phosphoglycerate dehydrogenase (PHGDH) LDTP00701 1.02  LDD1382 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 0.81  LDD1382 
Double-stranded RNA-specific adenosine deaminase (ADAR) LDTP04690 1.04  LDD1382 
Dual specificity mitogen-activated protein kinase kinase 3 (MAP2K3) LDTP04103 1.06  LDD1382 
Dual specificity mitogen-activated protein kinase kinase 4 (MAP2K4) LDTP04077 1.04  LDD1382 
Dual specificity protein phosphatase 12 (DUSP12) LDTP13663 1.16  LDD1382 
Dynamin-1-like protein (DNM1L) LDTP00273 1.00  LDD1382 
Dynamin-2 (DNM2) LDTP04374 1.62  LDD1382 
Elongation factor 2 (EEF2) LDTP02672 1.23; 0.63  LDD1382 
Elongation factor G, mitochondrial (GFM1) LDTP10774 1.19  LDD1382 
Elongation factor Tu, mitochondrial (TUFM) LDTP04251 1.32  LDD1382 
Enoyl-CoA delta isomerase 2 (ECI2) LDTP01245 1.66  LDD1382 
ERO1-like protein alpha (ERO1A) LDTP10386 1.71; 1.17  LDD1382 
Ethylmalonyl-CoA decarboxylase (ECHDC1) LDTP16095 1.15  LDD1382 
General transcription and DNA repair factor IIH helicase subunit XPB (ERCC3) LDTP03000 1.09  LDD1382 
Glutaredoxin-1 (GLRX) LDTP03786 1.00  LDD1382 
Glutaredoxin-related protein 5, mitochondrial (GLRX5) LDTP08181 1.26  LDD1382 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 1.10  LDD1382 
Glutathione S-transferase P (GSTP1) LDTP02333 1.17  LDD1382 
Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) LDTP02038 1.16  LDD1382 
Isoamyl acetate-hydrolyzing esterase 1 homolog (IAH1) LDTP17082 1.42  LDD1382 
Lysine-specific demethylase 4B (KDM4B) LDTP01470 1.13  LDD1382 
Mannose-1-phosphate guanyltransferase alpha (GMPPA) LDTP10418 1.08  LDD1382 
Medium-chain acyl-CoA ligase ACSF2, mitochondrial (ACSF2) LDTP10177 1.02  LDD1382 
Monofunctional C1-tetrahydrofolate synthase, mitochondrial (MTHFD1L) LDTP07651 1.04  LDD1382 
N-alpha-acetyltransferase 15, NatA auxiliary subunit (NAA15) LDTP11388 1.85  LDD1382 
NEDD8-activating enzyme E1 catalytic subunit (UBA3) LDTP09338 0.77  LDD1382 
NmrA-like family domain-containing protein 1 (NMRAL1) LDTP12190 1.01  LDD1382 
Parkinson disease protein 7 (PARK7) LDTP10878 1.17  LDD1382 
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (PIN1) LDTP05912 1.27  LDD1382 
Peripheral plasma membrane protein CASK (CASK) LDTP00482 1.75  LDD1382 
Peroxiredoxin-5, mitochondrial (PRDX5) LDTP03512 1.11  LDD1382 
Pre-rRNA-processing protein TSR1 homolog (TSR1) LDTP14888 1.46  LDD1382 
Procollagen-lysine,2-oxoglutarate 5-dioxygenase 1 (PLOD1) LDTP05373 1.09  LDD1382 
Prostaglandin E synthase 3 (PTGES3) LDTP06338 1.63  LDD1382 
Protein arginine N-methyltransferase 1 (PRMT1) LDTP10997 1.08  LDD1382 
Protein disulfide-isomerase (P4HB) LDTP02188 1.12  LDD1382 
Protein disulfide-isomerase A3 (PDIA3) LDTP03521 1.05  LDD1382 
Protein disulfide-isomerase A4 (PDIA4) LDTP02677 1.02; 1.05  LDD1382 
Protein disulfide-isomerase A6 (PDIA6) LDTP06314 0.97  LDD1382 
Protein-glutamine gamma-glutamyltransferase 2 (TGM2) LDTP03146 0.92  LDD1382 
Pyrroline-5-carboxylate reductase 1, mitochondrial (PYCR1) LDTP03644 1.43  LDD1382 
Pyruvate carboxylase, mitochondrial (PC) LDTP02576 1.02  LDD1382 
Pyruvate kinase PKM (PKM) LDTP02733 20.00  LDD1382 
Ras-related GTP-binding protein C (RRAGC) LDTP12166 1.21  LDD1382 
Serine/threonine-protein kinase VRK1 (VRK1) LDTP11030 1.45  LDD1382 
Small ribosomal subunit protein uS3 (RPS3) LDTP03223 1.00  LDD1382 
Sterol carrier protein 2 (SCP2) LDTP03163 0.97  LDD1382 
Thioredoxin (TXN) LDTP02502 1.51  LDD1382 
Thioredoxin domain-containing protein 5 (TXNDC5) LDTP09067 1.04; 0.85  LDD1382 
Tubulin alpha-1A chain (TUBA1A) LDTP07907 1.27; 1.22; 1.23  LDD1382 
Tubulin alpha-4A chain (TUBA4A) LDTP05075 1.25; 1.28; 1.21  LDD1382 
Ubiquitin-conjugating enzyme E2 L3 (UBE2L3) LDTP05070 1.78  LDD1382 
UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit (OGT) LDTP00601 1.18  LDD1382 
Uridine phosphorylase 1 (UPP1) LDTP06643 1.42  LDD1382 
[Pyruvate dehydrogenase [acetyl-transferring]]-phosphatase 1, mitochondrial (PDP1) LDTP12960 0.91  LDD1382 
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⏷ Show the Full List of 74 Enzyme
15 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Apoptotic chromatin condensation inducer in the nucleus (ACIN1) LDTP13490 1.00  LDD1382 
ATP synthase subunit alpha, mitochondrial (ATP5F1A) LDTP03327 1.27  LDD1382 
Chloride intracellular channel protein 1 (CLIC1) LDTP00244 1.02  LDD1382 
Chloride intracellular channel protein 4 (CLIC4) LDTP14222 0.91  LDD1382 
Exportin-1 (XPO1) LDTP00501 1.19; 0.69  LDD1382 
Exportin-2 (CSE1L) LDTP04662 1.78  LDD1382 
Gasdermin-D (GSDMD) LDTP04801 1.67  LDD1382 
Importin-7 (IPO7) LDTP01574 1.60  LDD1382 
Nuclear pore complex protein Nup214 (NUP214) LDTP03777 1.12  LDD1382 
Nuclear pore complex protein Nup93 (NUP93) LDTP08769 1.16  LDD1382 
Nucleoporin NUP35 (NUP35) LDTP09204 1.23  LDD1382 
Protein SEC13 homolog (SEC13) LDTP04707 0.95  LDD1382 
Small ribosomal subunit protein RACK1 (RACK1) LDTP05057 1.45  LDD1382 
THO complex subunit 6 homolog (THOC6) LDTP08315 1.04  LDD1382 
Unconventional myosin-Ic (MYO1C) LDTP00196 1.43  LDD1382 
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⏷ Show the Full List of 15 Transporter and channel
6 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Chromatin accessibility complex protein 1 (CHRAC1) LDTP12507 1.65  LDD1382 
eIF5-mimic protein 2 (BZW1) LDTP07940 1.60  LDD1382 
Non-POU domain-containing octamer-binding protein (NONO) LDTP06341 1.08  LDD1382 
Recombining binding protein suppressor of hairless (RBPJ) LDTP05485 1.49  LDD1382 
Signal transducer and activator of transcription 1-alpha/beta (STAT1) LDTP03969 1.14  LDD1382 
Zinc finger protein 217 (ZNF217) LDTP01191 0.91  LDD1382 
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⏷ Show the Full List of 6 Transcription factor
63 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Actin-related protein 2/3 complex subunit 3 (ARPC3) LDTP00552 2.87  LDD1382 
Actin-related protein 3 (ACTR3) LDTP04902 2.90  LDD1382 
Alpha-actinin-1 (ACTN1) LDTP02631 1.19  LDD1382 
Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 (AIMP2) LDTP05770 1.39  LDD1382 
Calponin-2 (CNN2) LDTP10864 1.14  LDD1382 
Cleavage stimulation factor subunit 2 (CSTF2) LDTP03665 0.94  LDD1382 
Cofilin-1 (CFL1) LDTP03244 2.54  LDD1382 
Coronin-1C (CORO1C) LDTP13580 1.13  LDD1382 
Cyclin-H (CCNH) LDTP04487 1.34  LDD1382 
Cysteine and glycine-rich protein 2 (CSRP2) LDTP06542 1.23  LDD1382 
Cytosolic Fe-S cluster assembly factor NUBP1 (NUBP1) LDTP04560 1.30  LDD1382 
Cytosolic iron-sulfur assembly component 2B (CIAO2B) LDTP13979 1.22  LDD1382 
Dedicator of cytokinesis protein 7 (DOCK7) LDTP10613 1.13  LDD1382 
Dynamin-binding protein (DNMBP) LDTP07755 1.14  LDD1382 
Eukaryotic translation initiation factor 3 subunit M (EIF3M) LDTP07947 1.02  LDD1382 
Formin-binding protein 1-like (FNBP1L) LDTP07088 0.75  LDD1382 
H/ACA ribonucleoprotein complex subunit 2 (NHP2) LDTP12754 1.25  LDD1382 
Heterogeneous nuclear ribonucleoprotein F (HNRNPF) LDTP04514 1.23; 20.00  LDD1382 
Heterogeneous nuclear ribonucleoprotein R (HNRNPR) LDTP00756 1.46  LDD1382 
Heterogeneous nuclear ribonucleoprotein U (HNRNPU) LDTP05259 1.07  LDD1382 
Hippocalcin-like protein 1 (HPCAL1) LDTP03841 1.17  LDD1382 
Interferon-induced protein with tetratricopeptide repeats 3 (IFIT3) LDTP00463 1.03  LDD1382 
Inverted formin-2 (INF2) LDTP06681 1.29; 1.31  LDD1382 
KH domain-containing RNA-binding protein QKI (QKI) LDTP10700 1.02  LDD1382 
Kinectin (KTN1) LDTP08238 1.24  LDD1382 
Lamina-associated polypeptide 2, isoform alpha (TMPO) LDTP03967 1.22  LDD1382 
Large ribosomal subunit protein eL30 (RPL30) LDTP05021 1.39  LDD1382 
Large ribosomal subunit protein uL14 (RPL23) LDTP05008 1.04  LDD1382 
Large ribosomal subunit protein uL3 (RPL3) LDTP03865 1.66  LDD1382 
LIM and calponin homology domains-containing protein 1 (LIMCH1) LDTP13705 1.21  LDD1382 
Mediator of RNA polymerase II transcription subunit 15 (MED15) LDTP10771 0.94  LDD1382 
Mediator of RNA polymerase II transcription subunit 17 (MED17) LDTP12669 1.08  LDD1382 
MMS19 nucleotide excision repair protein homolog (MMS19) LDTP10843 0.91  LDD1382 
Multivesicular body subunit 12A (MVB12A) LDTP10284 1.12  LDD1382 
Neuroblast differentiation-associated protein AHNAK (AHNAK) LDTP05597 1.24  LDD1382 
Nuclear migration protein nudC (NUDC) LDTP13817 1.23  LDD1382 
Nucleolar protein 58 (NOP58) LDTP13925 0.97  LDD1382 
Plastin-3 (PLS3) LDTP02692 1.27  LDD1382 
Plectin (PLEC) LDTP06330 1.06; 1.56; 1.78  LDD1382 
Poly(rC)-binding protein 1 (PCBP1) LDTP06366 1.34  LDD1382 
Programmed cell death 6-interacting protein (PDCD6IP) LDTP09580 0.96  LDD1382 
Proteasome activator complex subunit 1 (PSME1) LDTP05484 1.18  LDD1382 
Protein PAXX (PAXX) LDTP11235 1.32  LDD1382 
Protein S100-A11 (S100A11) LDTP03620 1.15  LDD1382 
RAB7A-interacting MON1-CCZ1 complex subunit 1 (RIMOC1) LDTP14351 0.93  LDD1382 
Ribosomal protein eL42-like (RPL36AL) LDTP15677 1.25  LDD1382 
Sister chromatid cohesion protein PDS5 homolog A (PDS5A) LDTP06684 0.88  LDD1382 
Small ribosomal subunit protein eS4, X isoform (RPS4X) LDTP04997 0.98  LDD1382 
Small ribosomal subunit protein uS12 (RPS23) LDTP04971 1.29  LDD1382 
Small ribosomal subunit protein uS17 (RPS11) LDTP04975 1.06; 1.30  LDD1382 
Small ribosomal subunit protein uS7 (RPS5) LDTP04110 0.97  LDD1382 
Stress-70 protein, mitochondrial (HSPA9) LDTP03860 1.28  LDD1382 
T-complex protein 1 subunit alpha (TCP1) LDTP02934 2.15  LDD1382 
T-complex protein 1 subunit epsilon (CCT5) LDTP04201 1.12  LDD1382 
T-complex protein 1 subunit eta (CCT7) LDTP10990 1.90  LDD1382 
T-complex protein 1 subunit theta (CCT8) LDTP04390 1.16  LDD1382 
Targeting protein for Xklp2 (TPX2) LDTP13583 1.11  LDD1382 
TBC1 domain family member 23 (TBC1D23) LDTP12651 1.04  LDD1382 
Transcription initiation factor IIA subunit 2 (GTF2A2) LDTP04517 1.78  LDD1382 
Treacle protein (TCOF1) LDTP05867 1.29; 1.02  LDD1382 
U4/U6.U5 tri-snRNP-associated protein 1 (SART1) LDTP00727 1.77  LDD1382 
WD repeat and HMG-box DNA-binding protein 1 (WDHD1) LDTP01299 1.31  LDD1382 
WD repeat domain phosphoinositide-interacting protein 3 (WDR45B) LDTP07037 1.04  LDD1382 
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⏷ Show the Full List of 63 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 Isotope tag
Competitor Name Fragment6
Competitor Concentration 500 uM
In Vitro Experiment Model Model Type
Cell lysate
Derived Tissue
Breast
Disease Model Breast adenocarcinoma [ICD-11:2C60]
Model Name Human breast adenocarcinoma cell lysate (MDA-MB-231)
Interaction Atlas ID  LDD1382  Download The Altas

References

1 Proteome-wide covalent ligand discovery in native biological systems. Nature. 2016 Jun 23;534(7608):570-4. doi: 10.1038/nature18002. Epub 2016 Jun 15.