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BioLiP

PDB CCD ID: A1A4Y
Number of entries in BioLiP: 1
Chemical formula: C4 H11 N O2 S
InChI: InChI=1S/C4H11NO2S/c1-8(6,7)4-2-3-5/h2-5H2,1H3
InChIKey: QUYFSHOLLKVPGX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52NCCCS(C)(=O)=O
CACTVS 3.385C[S](=O)(=O)CCCN
OpenEye OEToolkits 2.0.7CS(=O)(=O)CCCN
Name:3-(methanesulfonyl)propan-1-amine
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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