BioLiP

PDB

BioLiP

PDB CCD ID:

A1BFY

Number of entries in BioLiP:

Chemical formula:

C10 H19 N O3 S

InChI:

InChI=1S/C10H19NO3S/c1-15(12,13)11-9-4-7-14-10(8-9)5-2-3-6-10/h9,11H,2-8H2,1H3

InChIKey:

FKSXOIFBVQFQLW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CS(=O)(=O)N[C@H]1CCOC2(C1)CCCC2
CACTVS 3.385	C[S](=O)(=O)N[CH]1CCOC2(CCCC2)C1
ACDLabs 14.52	CS(=O)(=O)NC1CC2(CCCC2)OCC1
OpenEye OEToolkits 3.1.0.0	CS(=O)(=O)NC1CCOC2(C1)CCCC2
CACTVS 3.385	C[S](=O)(=O)N[C@H]1CCOC2(CCCC2)C1

Name:

N-[(9S)-6-oxaspiro[4.5]decan-9-yl]methanesulfonamide

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).