BioLiP

PDB

BioLiP

PDB CCD ID:

SJU

Number of entries in BioLiP:

Chemical formula:

C6 H6 O3

InChI:

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

InChIKey:

VYSRZETUSAOIMP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)Cc1occc1
OpenEye OEToolkits 2.0.7	c1cc(oc1)CC(=O)O
ACDLabs 12.01	O=C(O)Cc1ccco1

Name:

(furan-2-yl)acetic acid

ZINC:

ZINC000001841060

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).