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BioLiP

PDB CCD ID: QZR
Number of entries in BioLiP: 2
Chemical formula: C14 H13 N3 O2 S2
InChI: InChI=1S/C14H13N3O2S2/c1-9-7-12-13(15-8-16-14(12)20-9)17-10-3-5-11(6-4-10)21(2,18)19/h3-8H,1-2H3,(H,15,16,17)
InChIKey: QVQHWPLHUNEREE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0Cc1cc2c(ncnc2s1)Nc3ccc(cc3)S(=O)(=O)C
CACTVS 3.385Cc1sc2ncnc(Nc3ccc(cc3)[S](C)(=O)=O)c2c1
Name:6-methyl-~{N}-(4-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine
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).
  • 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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