SEQ2FUN

BioLiP

PDB CCD ID: J69
Number of entries in BioLiP: 6
Chemical formula: C5 H8 O2
InChI: InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3
InChIKey: VVQNEPGJFQJSBK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COC(=O)C(C)=C
OpenEye OEToolkits 2.0.7CC(=C)C(=O)OC
Name:methyl 2-methylprop-2-enoate;
methyl methacrylate
ChEMBL: CHEMBL49996
ZINC: ZINC000001680392
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).