BioLiP

PDB

BioLiP

PDB CCD ID:

KQF

Number of entries in BioLiP:

Chemical formula:

C11 H8 O3

InChI:

InChI=1S/C11H8O3/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H,(H,12,13)

InChIKey:

FOJYVBSPOBUCMV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(oc1)c2ccc(cc2)C(=O)O
ACDLabs 12.01	O=C(O)c1ccc(cc1)c1ccco1
CACTVS 3.385	OC(=O)c1ccc(cc1)c2occc2

Name:

4-(furan-2-yl)benzoic acid

ZINC:

ZINC000002525624

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).