BioLiP

PDB

BioLiP

PDB CCD ID:

A1I2P

Number of entries in BioLiP:

Chemical formula:

C6 H10 N2 O3 S

InChI:

InChI=1S/C6H10N2O3S/c1-4-6(5(2)11-8-4)12(9,10)7-3/h7H,1-3H3

InChIKey:

PBAHROBCZQANJL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(c(on1)C)S(=O)(=O)NC
CACTVS 3.385	CN[S](=O)(=O)c1c(C)onc1C

Name:

~{N},3,5-trimethyl-1,2-oxazole-4-sulfonamide

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).