BioLiP

PDB

BioLiP

PDB CCD ID:

3A9

Number of entries in BioLiP:

Chemical formula:

C9 H8 O3

InChI:

InChI=1S/C9H8O3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2,(H,10,11)

InChIKey:

YXYOLVAXVPOIMA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc2c(cc1C(=O)O)CCO2
ACDLabs 12.01	O=C(O)c2cc1c(OCC1)cc2
CACTVS 3.385	OC(=O)c1ccc2OCCc2c1

Name:

2,3-dihydro-1-benzofuran-5-carboxylic acid

ZINC:

ZINC000000039810

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).