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BioLiP

PDB CCD ID: 8WT
Number of entries in BioLiP: 2
Chemical formula: C6 H7 N5 S
InChI: InChI=1S/C6H7N5S/c1-12-6-10-3-4(7)8-2-9-5(3)11-6/h2H,1H3,(H3,7,8,9,10,11)
InChIKey: FEVUWFPPXQJXFN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CSc1[nH]c2c(N)ncnc2n1
OpenEye OEToolkits 2.0.6CSc1[nH]c2c(ncnc2n1)N
Name:8-methylsulfanyl-7~{H}-purin-6-amine
ChEMBL: CHEMBL569241
ZINC: ZINC000000529134
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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