SEQ2FUN

BioLiP

PDB CCD ID: K48
Number of entries in BioLiP: 2
Chemical formula: C11 H11 N3 S
InChI: InChI=1S/C11H11N3S/c12-10(13)9-6-8(11(14)15-9)7-4-2-1-3-5-7/h1-6H,14H2,(H3,12,13)
InChIKey: GRKPPKGSYOWFQV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2cc(sc2N)C(=N)N
OpenEye OEToolkits 2.0.7[H]/N=C(\c1cc(c(s1)N)c2ccccc2)/N
CACTVS 3.385NC(=N)c1sc(N)c(c1)c2ccccc2
Name:5-azanyl-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).