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BioLiP Library

PDB CCD ID: ASZ
Number of entries in BioLiP: 1
Chemical formula: C4 H11 N O3 S
InChI: InChI=1S/C4H11NO3S/c1-5(2)3-4-9(6,7)8/h3-4H2,1-2H3,(H,6,7,8)
InChIKey: CFAFEJHONLMPQY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1CN(C)CCS(=O)(=O)O
CACTVS 3.352CN(C)CC[S](O)(=O)=O
ACDLabs 10.04O=S(=O)(O)CCN(C)C
Name:2-(DIMETHYLAMINO)ETHANESULFONIC ACID
ZINC: ZINC000001671858
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)(download the PDF file).
  • 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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