SEQ2FUN

BioLiP

PDB CCD ID: A1I5U
Number of entries in BioLiP: 1
Chemical formula: C5 H4 N4 O S
InChI: InChI=1S/C5H4N4OS/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
InChIKey: SXRSXYWROQWSGJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1NC(=S)Nc2[nH]ncc12
OpenEye OEToolkits 2.0.7c1c2c([nH]n1)NC(=S)NC2=O
Name:6-sulfanylidene-1,7-dihydropyrazolo[3,4-d]pyrimidin-4-one
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).