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BioLiP

PDB CCD ID: HVQ
Number of entries in BioLiP: 2
Chemical formula: C5 H8 N S
InChI: InChI=1S/C5H7NS/c6-3-5-1-2-7-4-5/h1-2,4H,3,6H2/p+1
InChIKey: DUDAKCCDHRNMDJ-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
CACTVS 3.385[NH3+]Cc1cscc1
OpenEye OEToolkits 2.0.6c1cscc1C[NH3+]
Name:thiophen-3-ylmethylazanium
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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