SEQ2FUN

BioLiP

PDB CCD ID: LFQ
Number of entries in BioLiP: 2
Chemical formula: C12 H12 N2 S
InChI: InChI=1S/C12H12N2S/c1-8-10(7-11(15-8)12(13)14)9-5-3-2-4-6-9/h2-7H,1H3,(H3,13,14)
InChIKey: HUQORXRDKCJHHJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1sc(cc1c2ccccc2)C(N)=N
OpenEye OEToolkits 2.0.7[H]/N=C(/c1cc(c(s1)C)c2ccccc2)\N
OpenEye OEToolkits 2.0.7Cc1c(cc(s1)C(=N)N)c2ccccc2
Name:5-methyl-4-phenyl-thiophene-2-carboximidamide
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).