SEQ2FUN

BioLiP

PDB CCD ID: DX4
Number of entries in BioLiP: 8
Chemical formula: C5 H5 N5 S
InChI: InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
InChIKey: WYWHKKSPHMUBEB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04S=C1c2ncnc2N=C(N1)N
CACTVS 3.341NC1=Nc2[nH]cnc2C(=S)N1
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)C(=S)NC(=N2)N
Name:2-amino-1,9-dihydro-6H-purine-6-thione
ChEMBL: CHEMBL727
DrugBank: DB00352
ZINC: ZINC000006382803
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).