BioLiP

PDB

BioLiP

PDB CCD ID:

8BE

Number of entries in BioLiP:

Chemical formula:

C15 H14 Br N O3

InChI:

InChI=1S/C15H14BrNO3/c1-19-14-8-12(5-6-13(14)15(17)18)20-9-10-3-2-4-11(16)7-10/h2-8H,9H2,1H3,(H2,17,18)

InChIKey:

XLCVIUNLASFRSY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1cc(ccc1C(=O)N)OCc2cccc(c2)Br
CACTVS 3.385	COc1cc(OCc2cccc(Br)c2)ccc1C(N)=O

Name:

4-[(3-bromophenyl)methoxy]-2-methoxy-benzamide

ChEMBL:

CHEMBL5198615

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).