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BioLiP

PDB CCD ID: KLE
Number of entries in BioLiP: 1
Chemical formula: C11 H10 N2 S
InChI: InChI=1S/C11H10N2S/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H,(H3,12,13)
InChIKey: YQGXFGCWUBMBNN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ccc(s2)C(=N)N
CACTVS 3.385NC(=N)c1sc(cc1)c2ccccc2
OpenEye OEToolkits 2.0.7[H]/N=C(\c1ccc(s1)c2ccccc2)/N
Name:5-phenylthiophene-2-carboximidamide
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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