Ligand
Ligand Name:   Dimethyl fumarate
Ligand Type:   non-polymer
Ligand ID:   COVPDB439 PubChem:   637568
Synonym(s):  
  •   624-49-7
  • tecfidera
  • (e)-dimethyl fumarate
  • fumaric acid dimethyl ester
  • fumaric acid, dimethyl ester
  • dimethyl (e)-but-2-enedioate
  • bg-12
  • trans-butenedioic acid dimethyl ester
  • boletic acid dimethyl ester
  • dimethyl trans-ethylenedicarboxylate
  • dimethyl 2-butenedioate
  • methyl fumarate
  • bg00012
  • bg-00012
  • fumaderm
  • allomaleic acid dimethyl ester
  • trans-1,2-ethylenedicarboxylic acid dimethyl ester
  • bis-methyl ester
  • dimethyl fumar
  • fag-201
  • bg 00012
  • 2-butenedioic acid (e)-, dimethyl ester
  • unii-fo2303mni2
  • (e)-but-2-enedioic acid dimethyl ester
  • dimethyl (2e)-but-2-enedioate
  • chebi:76004
  • bg 12 compound
  • azl o 211089
  • azl-o-211089
  • mfcd00064438
  • nsc-25942
  • nsc-167432
  • fo2303mni2
  • bg 12
  • fp187
  • but-2-enedioic acid dimethyl ester
  • dimethyl (~{e})-but-2-enedioate
  • las41008
  • fp-187
  • las-41008
  • azl-0211089
  • 1,2-bis(methoxycarbonyl)-trans-ethylene
  • azl 0 211089
  • dimethyl fumarate, 99%
  • 23055-10-9
  • dimethyl fumarate [usan]
  • dimethylester kyseliny fumarove
  • 2-butenedioic acid (2e)-, dimethyl ester
  • wln: 1ov1u1vo1 -t
  • dimethyl-fumarate
  • dimethyl (2e)but-2-ene-1,4-dioate
  • ethylene,2-bis(methoxycarbonyl)-, trans-
  • fag201
  • fag 201
  • bg 12 [fumarate]
  • bg-12 [fumarate]
  • 2-butenedioic acid (2e)-, 1,4-dimethyl ester
  • einecs 210-849-0
  • dimethyl (2e)-2-butenedioate
  • nsc 25942
  • tl 353
  • 1,4-dimethyl but-2-enedioate
  • nsc 167432
  • dimethylester kyseliny fumarove [czech]
  • brn 0774590
  • panaclar
  • ai3-07872
  • but-2-enedioic acid, dimethyl ester
  • ethylene, 1,2-bis(methoxycarbonyl)-, trans-
  • hsdb 7725
  • tecfidera (tn)
  • fumaric acid dimethyl
  • dimethyl fumarate, 97%
  • dimethyl trans-butenedioate
  • fumaric acid-dimethyl ester
  • schembl41835
  • schembl41836
  • 4-02-00-02205 (beilstein handbook reference)
  • dimethyl fumarate (jan/usan)
  • gtpl7045
  • chembl2107333
  • dtxsid4060787
  • timtec-bb sbb008222
  • but-2-enedioic aciddimethyl ester
  • hms3264d14
  • pharmakon1600-01506154
  • nsc25942
  • zinc3843378
  • ukrorgsyn-bb bbr-008913
  • bdbm50504654
  • nsc167432
  • nsc760139
  • s2586
  • sbb008222
  • stk039379
  • akos000121333
  • zinc100509880
  • as01220
  • ccg-213618
  • cs-0909
  • db08908
  • ne10584
  • nsc-760139
  • 2-butenedioic acid, 1,4-dimethyl ester
  • ak144836
  • hy-17363
  • ls-13141
  • 2(e)-butenedioic acid 1,4-dimethyl ester
  • 2-butenedioic acid, dimethyl ester, (2e)-
  • f0069
  • st50827963
  • sw219154-1
  • d03846
  • w-5060
  • ab00172980_03
  • ab00172980_04
  • dimethyl fumarate, vetec(tm) reagent grade, 97%
  • q418123
  • sr-01000944222
  • sr-01000944222-1
  • brd-k31111078-001-01-8
  • f0001-1675
  • fumaric acid-dimethyl ester 1000 microg/ml in acetonitrile
  • dimethyl fumarate, certified reference material, tracecert(r)
  • 12287-98-8
  • eou
show 125 synonym(s)
DrugBank:   DB08908 ChEMBL:   CHEMBL2107333
Canonical SMILES:   COC(=O)/C=C/C(=O)OC
Standard InChI:   InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+
Molecular Formula:   C6H8O4 Mol. Weight:   144.04225 logP:   -0.1114
HBD:   0 HBA:   4
#Rotatable Bonds:   2 TPSA:   52.6

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Ribosomal protein S6 kinase alpha-3 P18654 (KS6A3_MOUSE) Mus musculus (Mouse) 5O1S 9HB IC50 : 225000 nM PDBBind SHOW