BioLiP

PDB

BioLiP

PDB CCD ID:

8NZ

Number of entries in BioLiP:

Chemical formula:

C9 H6 Br N O2

InChI:

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

InChIKey:

JVZMBSGNSAHFCY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc2c(cc1Br)c(c[nH]2)C(=O)O
CACTVS 3.385	OC(=O)c1c[nH]c2ccc(Br)cc12

Name:

5-bromanyl-1~{H}-indole-3-carboxylic acid

ZINC:

ZINC000002547984

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).