BioLiP

PDB

BioLiP

PDB CCD ID:

A1IF4

Number of entries in BioLiP:

Chemical formula:

C17 H15 Br N2

InChI:

InChI=1S/C17H15BrN2/c1-12-4-3-5-14(10-12)17-19-8-9-20(17)15-7-6-13(2)16(18)11-15/h3-11H,1-2H3

InChIKey:

MUTCCPXQONTORH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cccc(c1)c2nccn2c3ccc(c(c3)Br)C
CACTVS 3.385	Cc1cccc(c1)c2nccn2c3ccc(C)c(Br)c3

Name:

1-(3-bromanyl-4-methyl-phenyl)-2-(3-methylphenyl)imidazole

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).