BioLiP

PDB

BioLiP

PDB CCD ID:

8JL

Number of entries in BioLiP:

Chemical formula:

C18 H14 F N O5 S

InChI:

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

InChIKey:

PRQVEVLBUCMWDD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	COc1ccc(c2c1cccc2)S(=O)(=O)Nc3cc(ccc3F)C(=O)O
CACTVS 3.385	COc1ccc(c2ccccc12)[S](=O)(=O)Nc3cc(ccc3F)C(O)=O

Name:

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

ChEMBL:

CHEMBL4295114

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).