SEQ2FUN

BioLiP

PDB CCD ID: 9HB
Number of entries in BioLiP: 8
Chemical formula: C6 H10 O4
InChI: InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3
InChIKey: MUXOBHXGJLMRAB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		COC(=O)CCC(=O)OC
Name:Dimethyl fumarate
ChEMBL: CHEMBL556489
ZINC: ZINC000001683870
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).