SEQ2FUN

BioLiP

PDB CCD ID: K8W
Number of entries in BioLiP: 2
Chemical formula: C15 H14 N4 S
InChI: InChI=1S/C15H14N4S/c1-8-5-6-11(19-15(8)18)10-4-2-3-9-7-12(14(16)17)20-13(9)10/h2-7H,1H3,(H3,16,17)(H2,18,19)
InChIKey: WXGXCTAHOSYPBQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7[H]/N=C(\c1cc2cccc(c2s1)c3ccc(c(n3)N)C)/N
OpenEye OEToolkits 2.0.7Cc1ccc(nc1N)c2cccc3c2sc(c3)C(=N)N
CACTVS 3.385Cc1ccc(nc1N)c2cccc3cc(sc23)C(N)=N
Name:7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-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).