BioLiP

PDB

BioLiP

PDB CCD ID:

A1IF3

Number of entries in BioLiP:

Chemical formula:

C18 H17 Br N2

InChI:

InChI=1S/C18H17BrN2/c1-3-14-5-7-15(8-6-14)18-20-10-11-21(18)16-9-4-13(2)17(19)12-16/h4-12H,3H2,1-2H3

InChIKey:

ZFSFMPFTPXKEGZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCc1ccc(cc1)c2nccn2c3ccc(c(c3)Br)C
CACTVS 3.385	CCc1ccc(cc1)c2nccn2c3ccc(C)c(Br)c3

Name:

1-(3-bromanyl-4-methyl-phenyl)-2-(4-ethylphenyl)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).