BioLiP

PDB

BioLiP

PDB CCD ID:

SR4

Number of entries in BioLiP:

Chemical formula:

C11 H10 O3

InChI:

InChI=1S/C11H10O3/c12-11(13)9-5-3-7-14-10-6-2-1-4-8(9)10/h1-2,4-6H,3,7H2,(H,12,13)

InChIKey:

LEBOEWTWNOALHV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)C1=CCCOc2ccccc12
OpenEye OEToolkits 2.0.6	c1ccc2c(c1)C(=CCCO2)C(=O)O

Name:

2,3-dihydro-1-benzoxepine-5-carboxylic acid

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).