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BioLiP

PDB CCD ID: Z9I
Number of entries in BioLiP: 2
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:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CS(=O)(=O)N1CCCC1CN
OpenEye OEToolkits 2.0.7CS(=O)(=O)N1CCC[C@@H]1CN
CACTVS 3.385C[S](=O)(=O)N1CCC[C@@H]1CN
ACDLabs 12.01NCC1CCCN1S(=O)(C)=O
CACTVS 3.385C[S](=O)(=O)N1CCC[CH]1CN
Name:1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine
ZINC: ZINC000082591546
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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