Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0170
Competitor Name
Structure8
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 214.246
Lipid-water partition coefficient (xlogp) 1.34404
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C8H10N2O3S
Canonical SMILES
Cc1cc(C)c([N+](=O)[O-])c(S(C)=O)n1
InChI
InChI=1S/C8H10N2O3S/c1-5-4-6(2)9-8(14(3)13)7(5)10(11)12/h4H,1-3H3
InChIKey
ZBZXCRQGBBOGHR-UHFFFAOYSA-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 burkitt lymphoma cells (Ramos) [1]

Target(s) List of this Competitor

58 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
3'-5' exoribonuclease 1 (ERI1) LDTP08482 12.29  LDD0433 
6-phosphogluconolactonase (PGLS) LDTP14535 13.81  LDD0433 
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (CD38) LDTP03458 20.00; 5.86  LDD0433 
Alanine--tRNA ligase, cytoplasmic (AARS1) LDTP04262 20.00  LDD0433 
Alanyl-tRNA editing protein Aarsd1 (AARSD1) LDTP11198 12.88  LDD0433 
Amidophosphoribosyltransferase (PPAT) LDTP05480 14.01  LDD0433 
Anaphase-promoting complex subunit 7 (ANAPC7) LDTP13409 6.12; 4.86  LDD0433 
Antigen peptide transporter 2 (TAP2) LDTP05409 10.64  LDD0433 
Aspartyl aminopeptidase (DNPEP) LDTP13527 7.28  LDD0433 
Bifunctional coenzyme A synthase (COASY) LDTP05736 16.84  LDD0433 
Branched-chain-amino-acid aminotransferase, cytosolic (BCAT1) LDTP04622 13.11  LDD0433 
Caspase-2 (CASP2) LDTP03985 20.00  LDD0433 
Caspase-8 (CASP8) LDTP06211 13.90  LDD0433 
CCA tRNA nucleotidyltransferase 1, mitochondrial (TRNT1) LDTP10716 4.24  LDD0433 
Cyclin-dependent kinase 9 (CDK9) LDTP04384 6.33  LDD0433 
Cyclin-dependent kinase inhibitor 3 (CDKN3) LDTP06603 17.59  LDD0433 
Cytosolic 5'-nucleotidase 3A (NT5C3A) LDTP11723 5.25  LDD0433 
Deoxycytidine kinase (DCK) LDTP03400 6.06  LDD0433 
DNA dC->dU-editing enzyme APOBEC-3C (APOBEC3C) LDTP12539 8.72  LDD0433 
DNA ligase 1 (LIG1) LDTP02971 6.71  LDD0433 
DNA-directed RNA polymerase II subunit GRINL1A (POLR2M) LDTP02406 4.38  LDD0433 
Double-stranded RNA-specific adenosine deaminase (ADAR) LDTP04690 4.35  LDD0433 
Dual specificity protein phosphatase 12 (DUSP12) LDTP13663 20.00  LDD0433 
ERO1-like protein alpha (ERO1A) LDTP10386 20.00  LDD0433 
Fructose-2,6-bisphosphatase TIGAR (TIGAR) LDTP12405 4.87  LDD0433 
Glycerol-3-phosphate phosphatase (PGP) LDTP00089 15.58  LDD0433 
Heme oxygenase 2 (HMOX2) LDTP03540 20.00; 18.20; 8.71  LDD0433 
Insulin-degrading enzyme (IDE) LDTP02743 5.21  LDD0433 
Lymphoid-specific helicase (HELLS) LDTP12552 4.30  LDD0433 
Lysine-specific demethylase 2A (KDM2A) LDTP13885 12.83  LDD0433 
N-alpha-acetyltransferase 15, NatA auxiliary subunit (NAA15) LDTP11388 6.65  LDD0433 
Nitric oxide synthase-interacting protein (NOSIP) LDTP13940 4.01  LDD0433 
Nucleoside diphosphate kinase 3 (NME3) LDTP05795 9.30  LDD0433 
Phenylalanine--tRNA ligase beta subunit (FARSB) LDTP12586 16.89  LDD0433 
Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 (INPP5D) LDTP09895 5.13  LDD0433 
Proteasome subunit beta type-10 (PSMB10) LDTP03893 5.01  LDD0433 
Protein ARK2N (ARK2N) LDTP10109 4.62  LDD0433 
Protein O-GlcNAcase (OGA) LDTP00988 6.80  LDD0433 
Protein phosphatase 1B (PPM1B) LDTP01292 17.49  LDD0433 
Protein phosphatase methylesterase 1 (PPME1) LDTP14092 20.00  LDD0433 
Protein PML (PML) LDTP03496 20.00  LDD0433 
Pseudouridylate synthase RPUSD2 (RPUSD2) LDTP15370 17.64  LDD0433 
Putative bifunctional UDP-N-acetylglucosamine transferase and deubiquitinase ALG13 (ALG13) LDTP12313 4.05  LDD0433 
Ribonuclease P protein subunit p25-like protein (RPP25L) LDTP15427 7.79  LDD0433 
Ribonucleases P/MRP protein subunit POP1 (POP1) LDTP10903 4.22  LDD0433 
Ribonucleoside-diphosphate reductase large subunit (RRM1) LDTP03259 8.66; 4.94  LDD0433 
Ribosomal protein S6 kinase alpha-1 (RPS6KA1) LDTP06384 12.81  LDD0433 
RNA exonuclease 4 (REXO4) LDTP11639 5.61  LDD0433 
Serine/threonine-protein phosphatase CPPED1 (CPPED1) LDTP11107 7.35  LDD0433 
Sterol O-acyltransferase 1 (SOAT1) LDTP03769 4.00  LDD0433 
Thioredoxin (TXN) LDTP02502 5.13  LDD0433 
Thioredoxin-like protein 1 (TXNL1) LDTP00758 5.40  LDD0433 
Threonylcarbamoyl-AMP synthase (YRDC) LDTP08217 20.00  LDD0433 
Tudor-interacting repair regulator protein (NUDT16L1) LDTP11111 20.00  LDD0433 
Ubiquitin carboxyl-terminal hydrolase 10 (USP10) LDTP06190 4.67  LDD0433 
Ubiquitin carboxyl-terminal hydrolase 48 (USP48) LDTP08254 4.99  LDD0433 
V-type proton ATPase catalytic subunit A (ATP6V1A) LDTP03859 20.00  LDD0433 
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (PDK1) LDTP06320 12.02  LDD0433 
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⏷ Show the Full List of 58 Enzyme
11 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1 (RPN1) LDTP02057 5.26  LDD0433 
Gasdermin-D (GSDMD) LDTP04801 4.69  LDD0433 
Inositol 1,4,5-triphosphate receptor associated 2 (IRAG2) LDTP05692 4.31  LDD0433 
Mitochondrial carrier homolog 2 (MTCH2) LDTP14235 20.00  LDD0433 
Mpv17-like protein 2 (MPV17L2) LDTP14952 4.03  LDD0433 
Nucleoporin NUP35 (NUP35) LDTP09204 5.02  LDD0433 
Protein unc-93 homolog B1 (UNC93B1) LDTP11760 5.25  LDD0433 
Store-operated calcium entry-associated regulatory factor (SARAF) LDTP10148 7.10  LDD0433 
Thioredoxin domain-containing protein 17 (TXNDC17) LDTP11103 19.03  LDD0433 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 16.09; 7.04; 5.65 ...  LDD0433 
Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 13.98; 8.41  LDD0433 
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⏷ Show the Full List of 11 Transporter and channel
9 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Chromatin accessibility complex protein 1 (CHRAC1) LDTP12507 13.91  LDD0433 
DNA-binding protein Ikaros (IKZF1) LDTP05861 4.38  LDD0433 
DNA-binding protein inhibitor ID-1 (ID1) LDTP03916 6.88  LDD0433 
DnaJ homolog subfamily C member 2 (DNAJC2) LDTP10891 7.57  LDD0433 
Glucocorticoid receptor (NR3C1) LDTP02016 5.45  LDD0433 
Interferon regulatory factor 4 (IRF4) LDTP06354 7.13; 4.52  LDD0433 
Interferon regulatory factor 8 (IRF8) LDTP05362 12.43; 4.81  LDD0433 
Transcription factor AP-4 (TFAP4) LDTP05307 5.72  LDD0433 
Zinc finger protein Aiolos (IKZF3) LDTP13485 20.00  LDD0433 
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⏷ Show the Full List of 9 Transcription factor
2 Immunoglobulin Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
CD48 antigen (CD48) LDTP02338 20.00  LDD0433 
Immunoglobulin heavy constant mu (IGHM) LDTP01909 6.79  LDD0433 
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73 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Acyl-CoA-binding domain-containing protein 6 (ACBD6) LDTP15861 12.38  LDD0433 
ADP-ribosylation factor-binding protein GGA2 (GGA2) LDTP13414 7.20; 6.96  LDD0433 
ADP-ribosylation factor-like protein 6-interacting protein 4 (ARL6IP4) LDTP07301 8.57  LDD0433 
AH receptor-interacting protein (AIP) LDTP00202 5.75  LDD0433 
Anaphase-promoting complex subunit 16 (ANAPC16) LDTP10213 4.00  LDD0433 
Ankyrin repeat domain-containing protein 54 (ANKRD54) LDTP15104 4.87  LDD0433 
Ataxin-10 (ATXN10) LDTP13091 7.78  LDD0433 
BAG family molecular chaperone regulator 5 (BAG5) LDTP13507 5.86  LDD0433 
Calponin-2 (CNN2) LDTP10864 5.86  LDD0433 
CDK2-associated and cullin domain-containing protein 1 (CACUL1) LDTP08383 6.87  LDD0433 
Cilia- and flagella-associated protein 97 (CFAP97) LDTP18513 4.11  LDD0433 
Coiled-coil domain-containing protein 117 (CCDC117) LDTP08536 5.07  LDD0433 
Coiled-coil-helix-coiled-coil-helix domain-containing protein 2 (CHCHD2) LDTP14251 4.93  LDD0433 
Coronin-1C (CORO1C) LDTP13580 5.71  LDD0433 
Crk-like protein (CRKL) LDTP04092 18.03  LDD0433 
CWF19-like protein 1 (CWF19L1) LDTP15066 10.31  LDD0433 
Cyclin-H (CCNH) LDTP04487 14.67  LDD0433 
DEP domain-containing mTOR-interacting protein (DEPTOR) LDTP09327 12.60  LDD0433 
DnaJ homolog subfamily C member 7 (DNAJC7) LDTP10920 4.13  LDD0433 
FAS-associated death domain protein (FADD) LDTP05772 20.00  LDD0433 
Formin-binding protein 1 (FNBP1) LDTP10786 7.56  LDD0433 
Germinal center-associated signaling and motility protein (GCSAM) LDTP08931 9.86  LDD0433 
GRB2-related adapter protein (GRAP) LDTP05935 4.83  LDD0433 
Histone chaperone ASF1B (ASF1B) LDTP12689 4.44; 4.03  LDD0433 
Histone RNA hairpin-binding protein (SLBP) LDTP06126 4.71  LDD0433 
Host cell factor 1 (HCFC1) LDTP04434 7.08  LDD0433 
Influenza virus NS1A-binding protein (IVNS1ABP) LDTP14309 5.97  LDD0433 
Lamina-associated polypeptide 2, isoform alpha (TMPO) LDTP03967 5.43  LDD0433 
LanC-like protein 2 (LANCL2) LDTP12571 4.52  LDD0433 
Leucine-rich repeat-containing protein 40 (LRRC40) LDTP19976 4.52  LDD0433 
MAP7 domain-containing protein 1 (MAP7D1) LDTP14910 8.04  LDD0433 
MIF4G domain-containing protein (MIF4GD) LDTP00155 17.93  LDD0433 
MKI67 FHA domain-interacting nucleolar phosphoprotein (NIFK) LDTP11457 4.36  LDD0433 
Nesprin-2 (SYNE2) LDTP09702 20.00  LDD0433 
Nibrin (NBN) LDTP01090 4.99  LDD0433 
Nuclear mitotic apparatus protein 1 (NUMA1) LDTP06244 4.98  LDD0433 
Nucleolar complex protein 2 homolog (NOC2L) LDTP14011 5.68  LDD0433 
Nucleolar protein 58 (NOP58) LDTP13925 4.29  LDD0433 
Nucleolar protein 6 (NOL6) LDTP11993 5.25  LDD0433 
NudC domain-containing protein 1 (NUDCD1) LDTP10781 9.31; 5.10  LDD0433 
Opioid growth factor receptor (OGFR) LDTP16155 6.35  LDD0433 
Oxysterol-binding protein-related protein 10 (OSBPL10) LDTP11368 5.69  LDD0433 
PALM2-AKAP2 fusion protein (PALM2AKAP2) LDTP16261 6.46  LDD0433 
PCNA-associated factor (PCLAF) LDTP06269 5.34  LDD0433 
Perilipin-3 (PLIN3) LDTP01021 4.38  LDD0433 
Pescadillo homolog (PES1) LDTP00306 5.68  LDD0433 
Plastin-2 (LCP1) LDTP02691 4.15  LDD0433 
Poly(rC)-binding protein 1 (PCBP1) LDTP06366 8.38  LDD0433 
Protein RRP5 homolog (PDCD11) LDTP06186 20.00  LDD0433 
Protein SGT1 homolog (SUGT1) LDTP13935 4.30  LDD0433 
Raftlin (RFTN1) LDTP06193 4.77  LDD0433 
Receptor expression-enhancing protein 5 (REEP5) LDTP05257 11.35  LDD0433 
Regulation of nuclear pre-mRNA domain-containing protein 1A (RPRD1A) LDTP10651 5.97  LDD0433 
Retrotransposon-derived protein PEG10 (PEG10) LDTP08195 10.62  LDD0433 
Ribosomal RNA processing protein 1 homolog B (RRP1B) LDTP06182 12.40  LDD0433 
Ribosome biogenesis protein BOP1 (BOP1) LDTP06046 16.02  LDD0433 
RNA binding motif protein, X-linked-like-1 (RBMXL1) LDTP18146 4.56  LDD0433 
rRNA-processing protein UTP23 homolog (UTP23) LDTP11135 4.50  LDD0433 
Serine/threonine-protein phosphatase 4 regulatory subunit 2 (PPP4R2) LDTP12800 20.00  LDD0433 
Sex comb on midleg-like protein 2 (SCML2) LDTP13770 4.27  LDD0433 
Small glutamine-rich tetratricopeptide repeat-containing protein beta (SGTB) LDTP10273 4.31  LDD0433 
Sororin (CDCA5) LDTP10304 20.00  LDD0433 
Spermatid perinuclear RNA-binding protein (STRBP) LDTP10815 20.00  LDD0433 
Splicing factor ESS-2 homolog (ESS2) LDTP10214 4.88  LDD0433 
Targeting protein for Xklp2 (TPX2) LDTP13583 11.69  LDD0433 
TBC1 domain family member 15 (TBC1D15) LDTP09363 14.52  LDD0433 
tRNA (guanine-N(7)-)-methyltransferase non-catalytic subunit WDR4 (WDR4) LDTP04783 4.00  LDD0433 
Uncharacterized protein C7orf50 (C7orf50) LDTP19918 20.00  LDD0433 
UPF0488 protein C8orf33 (C8orf33) LDTP12025 7.32  LDD0433 
UPF0688 protein C1orf174 (C1orf174) LDTP17648 13.49  LDD0433 
UPF0696 protein C11orf68 (C11orf68) LDTP11866 20.00  LDD0433 
WD repeat domain phosphoinositide-interacting protein 3 (WDR45B) LDTP07037 5.51  LDD0433 
Zinc finger CCCH-type antiviral protein 1 (ZC3HAV1) LDTP08018 5.88  LDD0433 
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⏷ Show the Full List of 73 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
Experimemt Name ISO-TOP ABPP
Competitor Name Structure8
Competitor Concentration 50 uM
In Vitro Experiment Model Model Type
Living cell
Derived Tissue
Lymph node
Disease Model Burkitt lymphoma [ICD-11:2A85]
Model Name Human burkitt lymphoma cells (Ramos)
Interaction Atlas ID  LDD0433  Download The Altas

References

1 2-Sulfonylpyridines as Tunable, Cysteine-Reactive Electrophiles. J Am Chem Soc. 2020 May 13;142(19):8972-8979. doi: 10.1021/jacs.0c02721. Epub 2020 Apr 29.