BioLiP

PDB

BioLiP

PDB CCD ID:

TJ8

Number of entries in BioLiP:

Chemical formula:

C16 H11 Br N2 O

InChI:

InChI=1S/C16H11BrN2O/c17-15-10-14(7-6-13(15)11-20)19-9-8-18-16(19)12-4-2-1-3-5-12/h1-11H

InChIKey:

XAZQMNNYMHQXBB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2nccn2c3ccc(c(c3)Br)C=O
CACTVS 3.385	Brc1cc(ccc1C=O)n2ccnc2c3ccccc3

Name:

2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde;
LvD1009

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).