BioLiP

PDB

BioLiP

PDB CCD ID:

UUG

Number of entries in BioLiP:

Chemical formula:

C8 H9 Br O2

InChI:

InChI=1S/C8H9BrO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4,10H,5H2,1H3

InChIKey:

HBEIHPSICGGZIF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cc(Br)ccc1CO
OpenEye OEToolkits 2.0.7	COc1cc(ccc1CO)Br
ACDLabs 12.01	c1(c(OC)cc(cc1)Br)CO

Name:

(4-bromo-2-methoxyphenyl)methanol

ZINC:

ZINC000012359394

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).