BioLiP

PDB

BioLiP

PDB CCD ID:

QFW

Number of entries in BioLiP:

Chemical formula:

C20 H19 N O5 S

InChI:

InChI=1S/C20H19NO5S/c1-2-11-26-18-9-5-16-13-19(10-6-15(16)12-18)27(24,25)21-17-7-3-14(4-8-17)20(22)23/h3-10,12-13,21H,2,11H2,1H3,(H,22,23)

InChIKey:

CXGJVZAHQVOLAT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCOc1ccc2cc(ccc2c1)[S](=O)(=O)Nc3ccc(cc3)C(O)=O
OpenEye OEToolkits 2.0.7	CCCOc1ccc2cc(ccc2c1)S(=O)(=O)Nc3ccc(cc3)C(=O)O

Name:

4-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzoic acid;
4-{[(6-propoxy-2-naphtyl)sulfonyl]amino}benzoic acid

ZINC:

ZINC000011613982

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).