BioLiP

PDB

BioLiP

PDB CCD ID:

LPU

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O3 S

InChI:

InChI=1S/C6H13NO3S/c1-11(9,10)7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3

InChIKey:

UPEFDWJLNXWMOW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[S](=O)(=O)N1CCC(O)CC1
OpenEye OEToolkits 2.0.7	CS(=O)(=O)N1CCC(CC1)O
ACDLabs 12.01	OC1CCN(CC1)S(=O)(C)=O

Name:

1-(methanesulfonyl)piperidin-4-ol

ZINC:

ZINC000019780673

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).