BioLiP

PDB

BioLiP

PDB CCD ID:

F5R

Number of entries in BioLiP:

Chemical formula:

C7 H7 Br N2

InChI:

InChI=1S/C7H7BrN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)

InChIKey:

JODFDXUBCBQKNC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=N)c1ccc(Br)cc1
OpenEye OEToolkits 2.0.7	c1cc(ccc1C(=N)N)Br
OpenEye OEToolkits 2.0.7	[H]/N=C(\c1ccc(cc1)Br)/N

Name:

4-bromanylbenzenecarboximidamide;
4-Bromobenzamidine

ZINC:

ZINC000001437890

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).