BioLiP

PDB

BioLiP

PDB CCD ID:

TKK

Number of entries in BioLiP:

Chemical formula:

C16 H10 Br2 N2 O

InChI:

InChI=1S/C16H10Br2N2O/c17-14-4-2-1-3-13(14)16-19-7-8-20(16)12-6-5-11(10-21)15(18)9-12/h1-10H

InChIKey:

VPDSIMZNWBLFCE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Brc1ccccc1c2nccn2c3ccc(C=O)c(Br)c3
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)c2nccn2c3ccc(c(c3)Br)C=O)Br

Name:

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