BioLiP

PDB

BioLiP

PDB CCD ID:

6F3

Number of entries in BioLiP:

Chemical formula:

C14 H12 N2 O4 S

InChI:

InChI=1S/C14H12N2O4S/c1-15-21(18,19)10-4-2-3-9(7-10)13-8-11-12(20-13)5-6-16-14(11)17/h2-8,15H,1H3,(H,16,17)

InChIKey:

QWCULBJLWKNECO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN[S](=O)(=O)c1cccc(c1)c2oc3C=CNC(=O)c3c2
OpenEye OEToolkits 2.0.4	CNS(=O)(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O

Name:

N-methyl-3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzenesulfonamide

ZINC:

ZINC000584904827

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).