SEQ2FUN

BioLiP

PDB CCD ID: 2ON
Number of entries in BioLiP: 3
Chemical formula: C5 H4 N4 O S
InChI: InChI=1S/C5H4N4OS/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
InChIKey: XNHFAGRBSMMFKL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1c2ncnc2N=C(S)N1
CACTVS 3.370SC1=Nc2[nH]cnc2C(=O)N1
OpenEye OEToolkits 1.7.6c1[nH]c2c(n1)C(=O)NC(=N2)S
Name:2-sulfanyl-1,9-dihydro-6H-purin-6-one
ChEMBL: CHEMBL218762
ZINC: ZINC000018127213
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).