BioLiP

PDB

BioLiP

PDB CCD ID:

WJA

Number of entries in BioLiP:

Chemical formula:

C6 H10 N2 O3 S

InChI:

InChI=1S/C6H10N2O3S/c1-5-3-6(8-11-5)4-12(9,10)7-2/h3,7H,4H2,1-2H3

InChIKey:

SDSNLNFNGILSAL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN[S](=O)(=O)Cc1cc(C)on1
OpenEye OEToolkits 2.0.7	Cc1cc(no1)CS(=O)(=O)NC
ACDLabs 12.01	n1c(CS(NC)(=O)=O)cc(o1)C

Name:

N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

ZINC:

ZINC000020257832

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).