SEQ2FUN

BioLiP

PDB CCD ID: GO8
Number of entries in BioLiP: 2
Chemical formula: C8 H11 N5 S
InChI: InChI=1S/C8H11N5S/c1-4(2)14-8-12-5-6(9)10-3-11-7(5)13-8/h3-4H,1-2H3,(H3,9,10,11,12,13)
InChIKey: BIJOQOVJTJOJCF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(C)Sc1[nH]c2c(ncnc2n1)N
CACTVS 3.385CC(C)Sc1[nH]c2c(N)ncnc2n1
Name:8-propan-2-ylsulfanyl-7~{H}-purin-6-amine
ChEMBL: CHEMBL2144109
ZINC: ZINC000000186096

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).