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BioLiP

PDB CCD ID: K6Z
Number of entries in BioLiP: 2
Chemical formula: C17 H15 N3 S
InChI: InChI=1S/C17H15N3S/c18-16(19)15-11-14(12-7-3-1-4-8-12)17(21-15)20-13-9-5-2-6-10-13/h1-11,20H,(H3,18,19)
InChIKey: FFGGPXCGNYDJGA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=N)c1sc(Nc2ccccc2)c(c1)c3ccccc3
OpenEye OEToolkits 2.0.7[H]/N=C(\c1cc(c(s1)Nc2ccccc2)c3ccccc3)/N
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2cc(sc2Nc3ccccc3)C(=N)N
Name:4-phenyl-5-phenylazanyl-thiophene-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).
  • 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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