BioLiP

PDB

BioLiP

PDB CCD ID:

YW6

Number of entries in BioLiP:

Chemical formula:

C6 H6 O3

InChI:

InChI=1S/C6H6O3/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8)

InChIKey:

UUUYAVXPERPSAI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)Cc1cocc1
OpenEye OEToolkits 2.0.7	c1cocc1CC(=O)O

Name:

2-(furan-3-yl)ethanoic acid

ZINC:

ZINC000000334130

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).