BioLiP

PDB

BioLiP

PDB CCD ID:

BOP

Number of entries in BioLiP:

Chemical formula:

C7 H7 Br O

InChI:

InChI=1S/C7H7BrO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3

InChIKey:

QJPJQTDYNZXKQF-UHFFFAOYSA-N

SMILES:

Software	SMILES
	ether
OpenEye OEToolkits 1.5.0	COc1ccc(cc1)Br
CACTVS 3.341	COc1ccc(Br)cc1

Name:

1-BROMO-4-METHOXYBENZENE

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).