BioLiP

PDB

BioLiP

PDB CCD ID:

A1EJ7

Number of entries in BioLiP:

Chemical formula:

C19 H16 N2 O5 S

InChI:

InChI=1S/C19H16N2O5S/c1-13(22)17-10-11-18(26-17)19(23)20-14-6-5-7-15(12-14)21-27(24,25)16-8-3-2-4-9-16/h2-12,21H,1H3,(H,20,23)

InChIKey:

OCEJOLAYBZXXRB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)c1oc(cc1)C(=O)Nc2cccc(N[S](=O)(=O)c3ccccc3)c2
OpenEye OEToolkits 2.0.7	CC(=O)c1ccc(o1)C(=O)Nc2cccc(c2)NS(=O)(=O)c3ccccc3

Name:

5-ethanoyl-~{N}-[3-(phenylsulfonylamino)phenyl]furan-2-carboxamide

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).