BioLiP

PDB

BioLiP

PDB CCD ID:

UFH

Number of entries in BioLiP:

Chemical formula:

C10 H7 Br N2 O

InChI:

InChI=1S/C10H7BrN2O/c11-10-5-9(2-1-8(10)6-14)13-4-3-12-7-13/h1-7H

InChIKey:

KDYPLUPJLQBYJO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(cc1n2ccnc2)Br)C=O
CACTVS 3.385	Brc1cc(ccc1C=O)n2ccnc2

Name:

2-bromanyl-4-imidazol-1-yl-benzaldehyde

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).