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BioLiP Library

PDB CCD ID: A1IDC
Number of entries in BioLiP: 1
Chemical formula: C15 H13 N5 S2
InChI: InChI=1S/C15H13N5S2/c1-9-7-20(2)19-15(9)18-13-4-3-12-14(17-13)10(8-21-12)11-5-6-16-22-11/h3-8H,1-2H3,(H,17,18,19)
InChIKey: ZESZPGWEQAVONG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1cc(C)c(Nc2ccc3scc(c4sncc4)c3n2)n1
OpenEye OEToolkits 2.0.7Cc1cn(nc1Nc2ccc3c(n2)c(cs3)c4ccns4)C
Name:~{N}-(1,4-dimethylpyrazol-3-yl)-3-(1,2-thiazol-5-yl)thieno[3,2-b]pyridin-5-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)(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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