BioLiP

PDB

BioLiP

PDB CCD ID:

8YO

Number of entries in BioLiP:

Chemical formula:

C10 H8 O4

InChI:

InChI=1S/C10H8O4/c1-13-7-4-2-3-6-5-8(10(11)12)14-9(6)7/h2-5H,1H3,(H,11,12)

InChIKey:

UOCNTRAAJNWDND-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	COc1cccc2c1oc(c2)C(=O)O
CACTVS 3.385	COc1cccc2cc(oc12)C(O)=O

Name:

7-methoxy-1-benzofuran-2-carboxylic acid

ZINC:

ZINC000000066138

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).