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BioLiP

PDB CCD ID: L1T
Number of entries in BioLiP: 5
Chemical formula: C12 H12 N2 S
InChI: InChI=1S/C12H12N2S/c1-8-7-10(12(13)14)15-11(8)9-5-3-2-4-6-9/h2-7H,1H3,(H3,13,14)
InChIKey: ZXOKKHBVRCNRTH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(sc1c2ccccc2)C(=N)N
CACTVS 3.385Cc1cc(sc1c2ccccc2)C(N)=N
OpenEye OEToolkits 2.0.7[H]/N=C(\c1cc(c(s1)c2ccccc2)C)/N
Name:4-methyl-5-phenyl-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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