BioLiP

PDB

BioLiP

PDB CCD ID:

A1IKN

Number of entries in BioLiP:

Chemical formula:

C19 H14 Br N3

InChI:

InChI=1S/C19H14BrN3/c1-13-8-9-15(11-16(13)20)23-18-7-3-2-6-17(18)22-19(23)14-5-4-10-21-12-14/h2-12H,1H3

InChIKey:

GWYZPCYZNVDZBS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	Cc1ccc(cc1Br)n2c3ccccc3nc2c4cccnc4

Name:

3-(3-bromanyl-4-methyl-phenyl)-2-pyridin-3-yl-1,2-dihydrobenzimidazole

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).