SEQ2FUN

BioLiP

PDB CCD ID: 8N5
Number of entries in BioLiP: 1
Chemical formula: C10 H8 N2 O S
InChI: InChI=1S/C10H8N2OS/c13-10-9-8(11-12-10)7-4-2-1-3-6(7)5-14-9/h1-4H,5H2,(H2,11,12,13)
InChIKey: BFCDYINZMSUEHZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)CSC3=C2NNC3=O
CACTVS 3.385O=C1NNC2=C1SCc3ccccc23
Name:2,5-dihydro-1~{H}-isothiochromeno[4,3-c]pyrazol-3-one
ZINC: ZINC000000338756
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).