Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0198
Competitor Name
Dimethyl Fumarate(DMF)
Synonyms
Dimethyl fumarate; 624-49-7; Tecfidera; (E)-Dimethyl fumarate; Dimethylfumarate; Methyl fumarate; Fumaric acid, dimethyl ester; Fumaderm; Dimethyl (E)-but-2-enedioate; Fumaric acid dimethyl ester; BG-12; Boletic acid dimethyl ester; Panaclar; Dimethyl trans-ethylenedicarboxylate; trans-Butenedioic acid dimethyl ester; Allomaleic acid dimethyl ester; BG 12 compound; dimethyl (2E)-but-2-enedioate; BG00012; trans-1,2-Ethylenedicarboxylic acid dimethyl ester; 2-Butenedioic acid (E)-, dimethyl ester; BG-00012; FAG-201; BG 00012; AZL O 211089; AZL-O-211089; NSC-25942; Dimethylester kyseliny fumarove; NSC-167432; Dimethyl fumar; CHEBI:76004; (E)-but-2-enedioic acid dimethyl ester; dimethyl-fumarate; BG 12; FP187; Dimethyl fumarate [USAN]; 2-Butenedioic acid (2E)-, dimethyl ester; LAS41008; EINECS 210-849-0; UNII-FO2303MNI2; FP-187; LAS-41008; NSC 25942; TL 353; NSC 167432; AZL-0211089; BRN 0774590; FO2303MNI2; 1,2-bis(methoxycarbonyl)-trans-ethylene; 23055-10-9; Dimethyl 2-butenedioate; AI3-07872; HSDB 7725; BG 12 [Fumarate]; BG-12 [Fumarate]; Ethylene, 1,2-bis(methoxycarbonyl)-, trans-; Fumaric acid-dimethyl ester; 2-BUTENEDIOIC ACID, DIMETHYL ESTER, (E)-; Dimethyl (2e)-2-butenedioate; 2-butenedioic acid, (2E)-, dimethyl ester; dimethyl (~{E})-but-2-enedioate; 4-02-00-02205 (Beilstein Handbook Reference); But-2-enedioic acid, dimethyl ester; MFCD00064438; BG 12 (Fumarate); BG-12 (Fumarate); AZL 0 211089; 2-Butenedioic acid, dimethyl ester; Dimethyl fumarate (USAN); 2-Butenedioic acid (2E)-, 1,4-dimethyl ester; WLN: 1OV1U1VO1 -T; Fumaric acid-dimethyl ester 1000 microg/mL in Acetonitrile; BIS-METHYL ESTER; Fumarate, Dimethyl; Ethylene,2-bis(methoxycarbonyl)-, trans-; FAG201; FAG 201; Dimethylester kyseliny fumarove [Czech]; 1,4-dimethyl but-2-enedioate; FUMARIC ACID DIMETHYL ESTER (1,1,1,8,8,8-D6); Tecfidera (TN); Dimethyl fumarate, 97%; (E/Z)-Dimethyl fumarate; dimethyl trans-butenedioate; Dimethyl (E)-Butenedioate; Dimethyl (E)-butenedionate; SCHEMBL41835; SCHEMBL41836; DIMETHYL FUMARATE [MI]; Dimethyl fumarate (JAN/USAN); GTPL7045; DIMETHYL FUMARATE [JAN]; CHEMBL2107333; DIMETHYL FUMARATE [HSDB]; DTXSID4060787; DIMETHYL FUMARATE [VANDF]; 2-Butenedioic acid, dimethylester; HMS3264D14; Pharmakon1600-01506154; DIMETHYL FUMARATE [WHO-DD]; NSC25942; BDBM50504654; Fumaric acid, dimethyl ester (8CI); NSC167432; NSC760139; s2586; STK039379; Dimethyl ester(E)-2-Butenedioic acid; (E)-CH3OC(O)CH=CHC(O)OCH3; 1,4-dimethyl (2E)-but-2-enedioate; AKOS000121333; 1ST2537; CCG-213618; CS-0909; DB08908; Dimethyl ester(2E)-2-Butenedioic acid; DIMETHYL FUMARATE [ORANGE BOOK]; NSC-760139; (E)-2-Butenedioic Acid, Dimethyl Ester; HY-17363; LS-13141; 2-Butenedioic acid, dimethyl ester, (2E)-; CS-0369103; F0069; SW219154-1; EN300-16090; D03846; EN300-305306; H11241; AB00172980_03; AB00172980_04; Dimethyl fumarate, Vetec(TM) reagent grade, 97%; Q418123; SR-01000944222; SR-01000944222-1; trans-1, 2-Ethylenedicarboxylic acid dimethyl ester; BRD-K31111078-001-01-8; Z49500377; F0001-1675; Dimethyl fumarate, certified reference material, TraceCERT(R); 12287-98-8; EOU
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 144.12
Lipid-water partition coefficient (xlogp) 0.7
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C6H8O4
IUPAC Name
dimethyl (E)-but-2-enedioate
Canonical SMILES
COC(=O)C=CC(=O)OC
InChI
InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+
InChIKey
LDCRTTXIJACKKU-ONEGZZNKSA-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

51 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
2'-5'-oligoadenylate synthase 3 (OAS3) LDTP14266 4.93  LDD0526 
2-aminoethanethiol dioxygenase (ADO) LDTP10828 5.68  LDD0513 
6-phosphogluconolactonase (PGLS) LDTP14535 8.99  LDD0513 
Adenosine deaminase (ADA) LDTP01803 7.26  LDD0513 
Alanine--tRNA ligase, cytoplasmic (AARS1) LDTP04262 5.06  LDD0513 
Alanine--tRNA ligase, mitochondrial (AARS2) LDTP07015 6.12  LDD0513 
Baculoviral IAP repeat-containing protein 2 (BIRC2) LDTP05893 20.00  LDD0526 
BCL2/adenovirus E1B 19 kDa protein-interacting protein 2 (BNIP2) LDTP05716 4.02  LDD0526 
Caspase-2 (CASP2) LDTP03985 20.00  LDD0526 
CCA tRNA nucleotidyltransferase 1, mitochondrial (TRNT1) LDTP10716 4.31  LDD0526 
Cyclin-G-associated kinase (GAK) LDTP00497 4.74  LDD0513 
Deubiquitinase OTUD6B (OTUD6B) LDTP08942 5.88  LDD0526 
DNA dC->dU-editing enzyme APOBEC-3C (APOBEC3C) LDTP12539 8.71  LDD0513 
DNA ligase 1 (LIG1) LDTP02971 6.85  LDD0513 
DNA-dependent protein kinase catalytic subunit (PRKDC) LDTP05136 12.49  LDD0513 
DNA-directed RNA polymerase, mitochondrial (POLRMT) LDTP00267 10.43; 7.26  LDD0513 
E3 ubiquitin-protein ligase RNF213 (RNF213) LDTP07283 4.11  LDD0513 
Fructose-2,6-bisphosphatase TIGAR (TIGAR) LDTP12405 7.54  LDD0526 
Glycogen phosphorylase, brain form (PYGB) LDTP02552 4.11  LDD0526 
Haloacid dehalogenase-like hydrolase domain-containing protein 3 (HDHD3) LDTP15879 6.74  LDD0513 
Inhibitor of nuclear factor kappa-B kinase subunit alpha (CHUK) LDTP00538 6.34  LDD0513 
Inhibitor of nuclear factor kappa-B kinase subunit beta (IKBKB) LDTP00475 15.51  LDD0513 
Interleukin-1 receptor-associated kinase 4 (IRAK4) LDTP12744 6.51  LDD0513 
Little elongation complex subunit 1 (ICE1) LDTP13856 7.27  LDD0513 
Malonate--CoA ligase ACSF3, mitochondrial (ACSF3) LDTP06848 4.44  LDD0513 
Methionine aminopeptidase 1 (METAP1) LDTP04565 5.64  LDD0526 
Methionine--tRNA ligase, mitochondrial (MARS2) LDTP10365 5.43  LDD0513 
Mitochondrial coenzyme A diphosphatase NUDT8 (NUDT8) LDTP09598 20.00  LDD0513 
Mitochondrial ribonuclease P catalytic subunit (PRORP) LDTP00536 8.61  LDD0513 
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (MALT1) LDTP13195 4.41  LDD0526 
Palmitoyltransferase ZDHHC18 (ZDHHC18) LDTP12625 4.26  LDD0513 
Peroxisomal acyl-coenzyme A oxidase 1 (ACOX1) LDTP06307 4.63  LDD0513 
Peroxisomal succinyl-coenzyme A thioesterase (ACOT4) LDTP09004 5.44  LDD0513 
Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 (INPP5D) LDTP09895 5.11  LDD0513 
Probable helicase with zinc finger domain (HELZ) LDTP03993 6.18  LDD0513 
Protein kinase C theta type (PRKCQ) LDTP05433 5.11  LDD0526 
Protein phosphatase 1M (PPM1M) LDTP15785 8.50  LDD0513 
Pyroglutamyl-peptidase 1 (PGPEP1) LDTP12784 7.50  LDD0513 
Ribonucleoside-diphosphate reductase large subunit (RRM1) LDTP03259 5.49  LDD0513 
Ribosomal biogenesis protein LAS1L (LAS1L) LDTP14074 11.80  LDD0526 
Ribosome-releasing factor 2, mitochondrial (GFM2) LDTP10030 4.85  LDD0513 
Schlafen family member 11 (SLFN11) LDTP08156 5.90  LDD0513 
Serine-protein kinase ATM (ATM) LDTP05822 4.53  LDD0513 
TATA-binding protein-associated factor 172 (BTAF1) LDTP00502 5.39  LDD0513 
Threonine synthase-like 1 (THNSL1) LDTP19669 4.68  LDD0513 
Transformation/transcription domain-associated protein (TRRAP) LDTP14034 4.55  LDD0513 
Tyrosine-protein kinase JAK2 (JAK2) LDTP01026 13.34  LDD0513 
Ubiquitin carboxyl-terminal hydrolase 24 (USP24) LDTP13720 6.95  LDD0513 
Ubiquitin carboxyl-terminal hydrolase 7 (USP7) LDTP09962 8.24  LDD0513 
Ubiquitin-protein ligase E3B (UBE3B) LDTP15246 4.68  LDD0513 
Ubiquitin/ISG15-conjugating enzyme E2 L6 (UBE2L6) LDTP00481 4.29  LDD0526 
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⏷ Show the Full List of 51 Enzyme
7 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
AP-4 complex subunit epsilon-1 (AP4E1) LDTP13696 7.95  LDD0513 
Copine-1 (CPNE1) LDTP10989 4.24  LDD0526 
Copine-3 (CPNE3) LDTP01133 4.62  LDD0513 
Protein SON (SON) LDTP02959 11.68  LDD0526 
THO complex subunit 1 (THOC1) LDTP10317 6.05  LDD0513 
Translocation protein SEC63 homolog (SEC63) LDTP13243 5.88  LDD0513 
Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 4.39  LDD0513 
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⏷ Show the Full List of 7 Transporter and channel
5 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Chromatin accessibility complex protein 1 (CHRAC1) LDTP12507 9.16  LDD0513 
Interferon regulatory factor 9 (IRF9) LDTP05266 20.00  LDD0513 
Metastasis-associated protein MTA3 (MTA3) LDTP11193 4.30  LDD0513 
Nuclear body protein SP140 (SP140) LDTP05833 7.33  LDD0513 
Zinc finger MYM-type protein 1 (ZMYM1) LDTP19380 7.32  LDD0513 
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41 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
AH receptor-interacting protein (AIP) LDTP00202 4.36  LDD0526 
Centriolin (CNTRL) LDTP08139 4.65  LDD0513 
Centromere protein L (CENPL) LDTP15388 5.02  LDD0526 
Charged multivesicular body protein 1a (CHMP1A) LDTP12285 11.88  LDD0513 
Chromodomain Y-like protein 2 (CDYL2) LDTP15462 4.11  LDD0526 
Colorectal mutant cancer protein (MCC) LDTP03238 4.68  LDD0513 
Crk-like protein (CRKL) LDTP04092 4.70  LDD0526 
Cytoplasmic FMR1-interacting protein 2 (CYFIP2) LDTP10289 5.00  LDD0513 
Dedicator of cytokinesis protein 2 (DOCK2) LDTP09815 5.00  LDD0513 
DNA fragmentation factor subunit alpha (DFFA) LDTP00239 5.27  LDD0513 
GH3 domain-containing protein (GHDC) LDTP08795 4.30  LDD0513 
HEAT repeat-containing protein 3 (HEATR3) LDTP15253 4.54  LDD0513 
Hsp70-binding protein 1 (HSPBP1) LDTP12914 14.86  LDD0513 
Leukocyte receptor cluster member 8 (LENG8) LDTP10703 5.23  LDD0513 
Nesprin-2 (SYNE2) LDTP09702 9.88; 15.97  LDD0513 
NLR family member X1 (NLRX1) LDTP08248 5.44  LDD0513 
Non-homologous end-joining factor 1 (NHEJ1) LDTP12107 5.90  LDD0513 
Oxysterol-binding protein-related protein 10 (OSBPL10) LDTP11368 6.42  LDD0513 
PAX3- and PAX7-binding protein 1 (PAXBP1) LDTP14107 5.49  LDD0513 
Pericentrin (PCNT) LDTP01637 5.81  LDD0513 
Pro-interleukin-16 (IL16) LDTP06020 4.07  LDD0526 
Proline-, glutamic acid- and leucine-rich protein 1 (PELP1) LDTP08707 8.98  LDD0513 
Protein FAM118B (FAM118B) LDTP15852 5.51  LDD0513 
Protein phosphatase 1 regulatory subunit 12A (PPP1R12A) LDTP00495 4.92  LDD0513 
Protein transport protein Sec24D (SEC24D) LDTP01440 4.22  LDD0513 
Rab GTPase-activating protein 1-like (RABGAP1L) LDTP07051 5.85  LDD0513 
RAB6A-GEF complex partner protein 2 (RGP1) LDTP09790 6.29  LDD0513 
Ras GTPase-activating protein 2 (RASA2) LDTP06348 6.00; 4.54  LDD0513 
Ras GTPase-activating protein 3 (RASA3) LDTP06166 4.35  LDD0513 
Ribosomal RNA processing protein 1 homolog B (RRP1B) LDTP06182 4.14  LDD0513 
S1 RNA-binding domain-containing protein 1 (SRBD1) LDTP17715 5.20  LDD0513 
Spermatogenesis-associated protein 2 (SPATA2) LDTP13612 5.67  LDD0513 
Structural maintenance of chromosomes protein 2 (SMC2) LDTP01567 10.32; 4.02  LDD0513 
TAF5-like RNA polymerase II p300/CBP-associated factor-associated factor 65 kDa subunit 5L (TAF5L) LDTP01248 4.43  LDD0513 
Thyroid receptor-interacting protein 11 (TRIP11) LDTP06431 4.45  LDD0513 
Tubulin-specific chaperone D (TBCD) LDTP11212 8.07  LDD0526 
Tudor and KH domain-containing protein (TDRKH) LDTP13922 8.27  LDD0513 
U3 small nucleolar RNA-associated protein 6 homolog (UTP6) LDTP12830 13.56  LDD0513 
UPF0488 protein C8orf33 (C8orf33) LDTP12025 12.07  LDD0526 
UV radiation resistance-associated gene protein (UVRAG) LDTP13090 4.90  LDD0513 
Zinc finger protein 346 (ZNF346) LDTP13515 4.25  LDD0526 
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⏷ Show the Full List of 41 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 Dimethyl Fumarate(DMF)
Competitor Concentration 50 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  LDD0513  Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 100 uM
Quantitative Method Isotope tag
Competitor Name Dimethyl Fumarate(DMF)
Competitor Concentration 50 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  LDD0526  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.