BioLiP

PDB

BioLiP

PDB CCD ID:

5E3

Number of entries in BioLiP:

Chemical formula:

C17 H18 N2 O5 S

InChI:

InChI=1S/C17H18N2O5S/c1-4-12-11-9-13(16(23-3)10-15(11)24-18-12)19-25(20,21)17-8-6-5-7-14(17)22-2/h5-10,19H,4H2,1-3H3

InChIKey:

LPTBAUWFDDBHKH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3ccccc3OC
CACTVS 3.385	CCc1noc2cc(OC)c(N[S](=O)(=O)c3ccccc3OC)cc12

Name:

~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide

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).