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BioLiP

PDB CCD ID: TP5
Number of entries in BioLiP: 5
Chemical formula: C5 H6 N2 S
InChI: InChI=1S/C5H6N2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H3,6,7)
InChIKey: JKCKRNYECSTMLV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0[H]/N=C(\c1ccsc1)/N
ACDLabs 10.04[N@H]=C(N)c1ccsc1
OpenEye OEToolkits 1.5.0[H]N=C(c1ccsc1)N
CACTVS 3.341NC(=N)c1cscc1
Name:THIOPHENE-3-CARBOXIMIDAMIDE
ZINC: ZINC000000161834
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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