BioLiP

PDB

BioLiP

PDB CCD ID:

C8X

Number of entries in BioLiP:

Chemical formula:

C12 H14 O6

InChI:

InChI=1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2

InChIKey:

QPKOBORKPHRBPS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OCCOC(=O)c1ccc(cc1)C(=O)OCCO
OpenEye OEToolkits 2.0.6	c1cc(ccc1C(=O)OCCO)C(=O)OCCO

Name:

bis(2-hydroxyethyl) benzene-1,4-dicarboxylate;
bis(2-hydroxyethyl) terephthalate

ZINC:

ZINC000002040111

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).