SEQ2FUN

BioLiP

PDB CCD ID: TIK
Number of entries in BioLiP: 3
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:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		COC(=O)c1ccccc1C(=O)OC
Name:dimethyl benzene-1,2-dicarboxylate;
Dimethyl phthalate
ChEMBL: CHEMBL323348
DrugBank: DB13336
ZINC: ZINC000000391885
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).