SEQ2FUN

BioLiP

PDB CCD ID: ESX
Number of entries in BioLiP: 1
Chemical formula: C9 H9 N2 S
InChI: InChI=1S/C9H8N2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H3,10,11)/p+1
InChIKey: JZWDLUGQTRKBNA-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
CACTVS 3.341NC(=[NH2+])c1sc2ccccc2c1
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cc(s2)C(=[NH2+])N
ACDLabs 10.04s2c1ccccc1cc2\C(=[NH2+])N
Name:BENZO[B]THIOPHENE-2-CARBOXAMIDINE
DrugBank: DB04446
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).