BioLiP

PDB

BioLiP

PDB CCD ID:

Z9I

Number of entries in BioLiP:

Chemical formula:

C6 H14 N2 O2 S

InChI:

InChI=1S/C6H14N2O2S/c1-11(9,10)8-4-2-3-6(8)5-7/h6H,2-5,7H2,1H3/t6-/m1/s1

InChIKey:

RYZYXPKYSJEBDD-ZCFIWIBFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CS(=O)(=O)N1CCCC1CN
OpenEye OEToolkits 2.0.7	CS(=O)(=O)N1CCC[C@@H]1CN
CACTVS 3.385	C[S](=O)(=O)N1CCC[C@@H]1CN
ACDLabs 12.01	NCC1CCCN1S(=O)(C)=O
CACTVS 3.385	C[S](=O)(=O)N1CCC[CH]1CN

Name:

1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine

ZINC:

ZINC000082591546

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).