BioLiP

PDB

BioLiP

PDB CCD ID:

S9E

Number of entries in BioLiP:

Chemical formula:

C9 H6 Br N3 O

InChI:

InChI=1S/C9H6BrN3O/c10-9-11-3-4-13(9)8-2-1-7(6-14)5-12-8/h1-6H

InChIKey:

UTJFEWWYRZDGSU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Brc1nccn1c2ccc(C=O)cn2
OpenEye OEToolkits 2.0.7	c1cc(ncc1C=O)n2ccnc2Br

Name:

6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde

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).