BioLiP

PDB

BioLiP

PDB CCD ID:

PBX

Number of entries in BioLiP:

Chemical formula:

C6 H5 Br O3

InChI:

InChI=1S/C6H5BrO3/c7-3-1-2-4(8)6(10)5(3)9/h1-2,8-10H

InChIKey:

TYRFQQZIVRBJAK-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Brc1ccc(O)c(O)c1O
OpenEye OEToolkits 1.7.6	c1cc(c(c(c1O)O)O)Br
CACTVS 3.370	Oc1ccc(Br)c(O)c1O

Name:

4-bromobenzene-1,2,3-triol

ZINC:

ZINC000033861528

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).