BioLiP

PDB

BioLiP

PDB CCD ID:

4ZU

Number of entries in BioLiP:

Chemical formula:

C9 H6 Br N O2

InChI:

InChI=1S/C9H6BrNO2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-4,11H,(H,12,13)

InChIKey:

SVBVYRYROZWKNJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1cc(cc2c1cc([nH]2)C(=O)O)Br
CACTVS 3.385	OC(=O)c1[nH]c2cc(Br)ccc2c1

Name:

6-bromanyl-1H-indole-2-carboxylic acid

ZINC:

ZINC000002582710

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).