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BioLiP

PDB CCD ID: YH7
Number of entries in BioLiP: 2
Chemical formula: C5 H5 N5 S
InChI: InChI=1S/C5H5N5S/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11)
InChIKey: LQJZZLRZEPKRRQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1=NC2=C(NC(=S)N=C2N1)N
CACTVS 3.370NC1=C2N=CNC2=NC(=S)N1
ACDLabs 12.01S=C2N=C1C(N=CN1)=C(N2)N
Name:6-amino-1,9-dihydro-2H-purine-2-thione
ZINC: ZINC000004353400
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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