BioLiP

PDB

BioLiP

PDB CCD ID:

HXR

Number of entries in BioLiP:

Chemical formula:

C14 H14 N2 O4 S

InChI:

InChI=1S/C14H14N2O4S/c15-21(19,20)13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-14(17)16-18/h1-8,18H,9H2,(H,16,17)(H2,15,19,20)

InChIKey:

PHUYCWVFVRSGMR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1CC(=O)NO)c2ccc(cc2)S(=O)(=O)N
CACTVS 3.385	N[S](=O)(=O)c1ccc(cc1)c2ccc(CC(=O)NO)cc2

Name:

N-oxidanyl-2-[4-(4-sulfamoylphenyl)phenyl]ethanamide

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).