BioLiP

PDB

BioLiP

PDB CCD ID:

V1O

Number of entries in BioLiP:

Chemical formula:

C17 H19 Br N2 O4

InChI:

InChI=1S/C17H19BrN2O4/c1-22-15-5-4-11(8-14(15)21)19-20-12-9-16(23-2)13(6-7-18)17(10-12)24-3/h4-5,8-10,21H,6-7H2,1-3H3

InChIKey:

WFYMKGBDLFAINQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccc(cc1O)N=Nc2cc(c(c(c2)OC)CCBr)OC
CACTVS 3.385	COc1ccc(cc1O)N=Nc2cc(OC)c(CCBr)c(OC)c2

Name:

5-[[4-(2-bromoethyl)-3,5-dimethoxy-phenyl]diazenyl]-2-methoxy-phenol

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).