BioLiP

PDB

BioLiP

PDB CCD ID:

QSB

Number of entries in BioLiP:

Chemical formula:

C7 H5 Br O3

InChI:

InChI=1S/C7H5BrO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)

InChIKey:

XMEQDAIDOBVHEK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1ccc(O)c(Br)c1
OpenEye OEToolkits 2.0.7	c1cc(c(cc1C(=O)O)Br)O

Name:

3 bromo 4 hydroxybenzoic acid;
3-bromanyl-4-oxidanyl-benzoic acid

ZINC:

ZINC000002566180

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).