BioLiP

PDB

BioLiP

PDB CCD ID:

AKH

Number of entries in BioLiP:

Chemical formula:

C9 H6 O3

InChI:

InChI=1S/C9H6O3/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-5H,(H,10,11)

InChIKey:

QMHILIQFOBNARN-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)c2cccc1c2occ1
OpenEye OEToolkits 1.9.2	c1cc2ccoc2c(c1)C(=O)O
CACTVS 3.385	OC(=O)c1cccc2ccoc12

Name:

1-BENZOFURAN-7-CARBOXYLIC ACID

ZINC:

ZINC000039593455

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).