SEQ2FUN

BioLiP

PDB CCD ID: XQG
Number of entries in BioLiP: 1
Chemical formula: C6 H6 N4 S
InChI: InChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)
InChIKey: UIJIQXGRFSPYQW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352CSc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.6.1CSc1c2c([nH]cn2)ncn1
Name:6-METHYLSULFANYL-9H-PURINE
ChEMBL: CHEMBL1178
ZINC: ZINC000018113502
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).