BioLiP

PDB

BioLiP

PDB CCD ID:

8JR

Number of entries in BioLiP:

Chemical formula:

C18 H14 F N O5 S

InChI:

InChI=1S/C18H14FNO5S/c1-25-15-9-10-16(12-6-3-2-5-11(12)15)26(23,24)20-14-8-4-7-13(17(14)19)18(21)22/h2-10,20H,1H3,(H,21,22)

InChIKey:

GBWOMBQVUCUIGY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc(c2ccccc12)[S](=O)(=O)Nc3cccc(C(O)=O)c3F
OpenEye OEToolkits 2.0.6	COc1ccc(c2c1cccc2)S(=O)(=O)Nc3cccc(c3F)C(=O)O

Name:

2-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid

ChEMBL:

CHEMBL4293576

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).