BioLiP

PDB

BioLiP

PDB CCD ID:

4HR

Number of entries in BioLiP:

Chemical formula:

C7 H7 Br O

InChI:

InChI=1S/C7H7BrO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2

InChIKey:

IOWGHQGLUMEZKG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OCc1ccccc1Br
OpenEye OEToolkits 1.9.2	c1ccc(c(c1)CO)Br
ACDLabs 12.01	c1(CO)ccccc1Br

Name:

(2-bromophenyl)methanol

ZINC:

ZINC000001996019

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).