BioLiP

PDB

BioLiP

PDB CCD ID:

ZUJ

Number of entries in BioLiP:

Chemical formula:

C17 H16 N2 O6 S

InChI:

InChI=1S/C17H16N2O6S/c18-26(22,23)14-6-3-12(4-7-14)19-16(20)10-24-13-5-1-11-2-8-17(21)25-15(11)9-13/h1,3-7,9H,2,8,10H2,(H,19,20)(H2,18,22,23)

InChIKey:

VZWHIVSDDFPQBV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	NS(=O)(=O)c1ccc(cc1)NC(=O)COc1ccc2CCC(=O)Oc2c1
CACTVS 3.385	N[S](=O)(=O)c1ccc(NC(=O)COc2ccc3CCC(=O)Oc3c2)cc1
OpenEye OEToolkits 2.0.7	c1cc(ccc1NC(=O)COc2ccc3c(c2)OC(=O)CC3)S(=O)(=O)N

Name:

2-[(2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide;
coumarin benzene sulfonamide SG1-51

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).