BioLiP

PDB

BioLiP

PDB CCD ID:

8YX

Number of entries in BioLiP:

Chemical formula:

C6 H5 Br2 N O

InChI:

InChI=1S/C6H5Br2NO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H,9H2

InChIKey:

UFWSOGOVXJBJDP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(cc(c(c1N)O)Br)Br
CACTVS 3.385	Nc1cc(Br)cc(Br)c1O

Name:

2-azanyl-4,6-bis(bromanyl)phenol

ZINC:

ZINC000001605512

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).