BioLiP

PDB

BioLiP

PDB CCD ID:

6AR

Number of entries in BioLiP:

Chemical formula:

C9 H7 Br N2

InChI:

InChI=1S/C9H7BrN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H

InChIKey:

SERULNRLZWOYPK-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385	Brc1ccc(cc1)n2ccnc2
OpenEye OEToolkits 2.0.4	c1cc(ccc1n2ccnc2)Br

Name:

1-(4-bromophenyl)-1H-imidazole

ZINC:

ZINC000002528151

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).