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BioLiP

PDB CCD ID: ETM
Number of entries in BioLiP: 31
Chemical formula: C5 H14 N S
InChI: InChI=1S/C5H13NS/c1-6(2,3)4-5-7/h4-5H2,1-3H3/p+1
InChIKey: VFUGTBZQGUVGEX-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
ACDLabs 10.04SCC[N+](C)(C)C
CACTVS 3.341
OpenEye OEToolkits 1.5.0		C[N+](C)(C)CCS
Name:2-(TRIMETHYLAMMONIUM)ETHYL THIOL
ChEMBL: CHEMBL136145
DrugBank: DB01803
ZINC: ZINC000005299036
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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