SEQ2FUN

BioLiP

PDB CCD ID: ITN
Number of entries in BioLiP: 12
Chemical formula: C5 H6 O4
InChI: InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)
InChIKey: LVHBHZANLOWSRM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CC(=C)C(O)=O
OpenEye OEToolkits 2.0.5C=C(CC(=O)O)C(=O)O
Name:2-methylidenebutanedioic acid
ChEMBL: CHEMBL359159
ZINC: ZINC000000895261
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).