BioLiP

PDB

BioLiP

PDB CCD ID:

H5B

Number of entries in BioLiP:

Chemical formula:

C11 H7 Br O3

InChI:

InChI=1S/C11H7BrO3/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,13H,(H,14,15)

InChIKey:

ORABWYPHDRBFAX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc2c(c1)c(cc(c2O)C(=O)O)Br
CACTVS 3.385	OC(=O)c1cc(Br)c2ccccc2c1O

Name:

4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid

ZINC:

ZINC000000235999

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).