BioLiP

PDB

BioLiP

PDB CCD ID:

F81

Number of entries in BioLiP:

Chemical formula:

C7 H7 Br O2

InChI:

InChI=1S/C7H7BrO2/c1-10-6-4-2-3-5(8)7(6)9/h2-4,9H,1H3

InChIKey:

WEUFQISIJPSTBM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	COc1cccc(c1O)Br
ACDLabs 12.01	c1(c(cccc1OC)Br)O
CACTVS 3.385	COc1cccc(Br)c1O

Name:

2-bromo-6-methoxyphenol

ZINC:

ZINC000012359068

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).