BioLiP

PDB

BioLiP

PDB CCD ID:

8JX

Number of entries in BioLiP:

Chemical formula:

C16 H19 N O5 S

InChI:

InChI=1S/C16H19NO5S/c1-22-14-9-10-15(13-7-3-2-6-12(13)14)23(20,21)17-11-5-4-8-16(18)19/h2-3,6-7,9-10,17H,4-5,8,11H2,1H3,(H,18,19)

InChIKey:

ZPHHWDJVJHTZHN-UHFFFAOYSA-N

SMILES:

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

Name:

5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid

ChEMBL:

CHEMBL4292481

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).