SEQ2FUN

BioLiP

PDB CCD ID: 856
Number of entries in BioLiP: 1
Chemical formula: C11 H12 O5
InChI: InChI=1S/C11H12O5/c1-15-10(13)8-2-4-9(5-3-8)11(14)16-7-6-12/h2-5,12H,6-7H2,1H3
InChIKey: DJQMYWWZWUOCBQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		COC(=O)c1ccc(cc1)C(=O)OCCO
Name:O 4-(2-hydroxyethyl) O 1-methyl benzene-1,4-dicarboxylate
ZINC: ZINC000002379611
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).