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BioLiP

PDB CCD ID: 8M2
Number of entries in BioLiP: 3
Chemical formula: C5 H7 N2 S
InChI: InChI=1S/C5H6N2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H3,6,7)/p+1
InChIKey: JKCKRNYECSTMLV-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=[NH2+])c1cscc1
OpenEye OEToolkits 2.0.6c1cscc1C(=[NH2+])N
Name:[azanyl(thiophen-3-yl)methylidene]azanium
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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