BioLiP

PDB

BioLiP

PDB CCD ID:

Q1J

Number of entries in BioLiP:

Chemical formula:

C19 H16 Br N O4 S

InChI:

InChI=1S/C19H16BrNO4S/c1-25-18-10-8-15(20)12-19(18)26(23,24)21-16-11-14(7-9-17(16)22)13-5-3-2-4-6-13/h2-12,21-22H,1H3

InChIKey:

LSOYIZUYLCYRNG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccc(cc1S(=O)(=O)Nc2cc(ccc2O)c3ccccc3)Br
CACTVS 3.385	COc1ccc(Br)cc1[S](=O)(=O)Nc2cc(ccc2O)c3ccccc3
ACDLabs 12.01	c1(ccc(c(c1)S(Nc3c(ccc(c2ccccc2)c3)O)(=O)=O)OC)Br

Name:

5-bromo-N-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide

ChEMBL:

CHEMBL4443499

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).