BioLiP

PDB

BioLiP

PDB CCD ID:

14J

Number of entries in BioLiP:

Chemical formula:

C5 H3 Br O3

InChI:

InChI=1S/C5H3BrO3/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)

InChIKey:

YVTQHZDUDUCGRD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc(oc1C(=O)O)Br
ACDLabs 12.01	O=C(O)c1oc(Br)cc1
CACTVS 3.370	OC(=O)c1oc(Br)cc1

Name:

5-bromofuran-2-carboxylic acid

ZINC:

ZINC000000066017

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).