SEQ2FUN

BioLiP

PDB CCD ID: KB5
Number of entries in BioLiP: 1
Chemical formula: C5 H5 N5 S
InChI: InChI=1S/C5H5N5S/c6-3-2-4(8-1-7-3)10-5(11)9-2/h1H,(H4,6,7,8,9,10,11)
InChIKey: BHVOFCPOXNYVCE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)[nH]c(n2)S)N
CACTVS 3.385Nc1ncnc2[nH]c(S)nc12
Name:6-azanyl-9~{H}-purine-8-thiol
ChEMBL: CHEMBL1720102
ZINC: ZINC000018125321
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).