BioLiP

PDB

BioLiP

PDB CCD ID:

TIK

Number of entries in BioLiP:

Chemical formula:

C10 H10 O4

InChI:

InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3

InChIKey:

NIQCNGHVCWTJSM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	COC(=O)c1ccccc1C(=O)OC

Name:

dimethyl benzene-1,2-dicarboxylate;
Dimethyl phthalate

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).