BioLiP

PDB

BioLiP

PDB CCD ID:

4XH

Number of entries in BioLiP:

Chemical formula:

C9 H6 Br N

InChI:

InChI=1S/C9H6BrN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H

InChIKey:

CHODTZCXWXCALP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc2c(cccn2)c(c1)Br
ACDLabs 12.01 CACTVS 3.385	Brc1cccc2ncccc12

Name:

5-BROMOQUINOLINE

ZINC:

ZINC000000331139

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).