BioLiP

PDB

BioLiP

PDB CCD ID:

NXT

Number of entries in BioLiP:

Chemical formula:

C9 H10 O3

InChI:

InChI=1S/C9H10O3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h5H,1-4H2,(H,10,11)

InChIKey:

QQPMDRGNNFKVEL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(c2c(o1)CCCC2)C(=O)O
CACTVS 3.385	OC(=O)c1coc2CCCCc12

Name:

4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid

ZINC:

ZINC000076595345

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).