BioLiP

PDB

BioLiP

PDB CCD ID:

7XW

Number of entries in BioLiP:

Chemical formula:

C17 H18 N2 O4 S

InChI:

InChI=1S/C17H18N2O4S/c1-22-17-16(19-24(20,21)15-5-3-2-4-6-15)11-14(12-18-17)13-7-9-23-10-8-13/h2-7,11-12,19H,8-10H2,1H3

InChIKey:

OZEVUWLUKNYTLV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1c(cc(cn1)C2=CCOCC2)NS(=O)(=O)c3ccccc3
CACTVS 3.385	COc1ncc(cc1N[S](=O)(=O)c2ccccc2)C3=CCOCC3

Name:

N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide;
N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxypyridin-3-yl]benzenesulfonamide

ChEMBL:

CHEMBL4469876

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).