SEQ2FUN

BioLiP

PDB CCD ID: UO8
Number of entries in BioLiP: 2
Chemical formula: C11 H15 N5 S
InChI: InChI=1S/C11H15N5S/c12-11-14-9-8(10(17)15-11)13-6-16(9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,12,14,15,17)
InChIKey: PKVXHQDYPCXSAD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC1=NC(=S)c2ncn(C3CCCCC3)c2N1
OpenEye OEToolkits 2.0.7c1nc2c(n1C3CCCCC3)NC(=NC2=S)N
Name:2-azanyl-9-cyclohexyl-3~{H}-purine-6-thione
ChEMBL: CHEMBL1736694
ZINC: ZINC000017314824
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).