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BioLiP

PDB CCD ID: 1AV
Number of entries in BioLiP: 2
Chemical formula: C13 H9 N7 S
InChI: InChI=1S/C13H9N7S/c14-13-18-10(20-5-4-16-7-20)9-12(19-13)21-11(17-9)8-2-1-3-15-6-8/h1-7H,(H2,14,18,19)
InChIKey: FTDVRDNCBWDKFI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(cnc1)c2nc3c(nc(nc3s2)N)n4ccnc4
ACDLabs 12.01n1c(c2nc(sc2nc1N)c3cccnc3)n4ccnc4
CACTVS 3.370Nc1nc2sc(nc2c(n1)n3ccnc3)c4cccnc4
Name:7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-amine
ZINC: ZINC000095920781
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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