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BioLiP

PDB CCD ID: 9BV
Number of entries in BioLiP: 3
Chemical formula: C8 H5 N5 O
InChI: InChI=1S/C8H5N5O/c14-7-5-3-1-2-4-6(5)9-8-10-11-12-13(7)8/h1-4,14H
InChIKey: MBODJNHSMUWROS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1n2nnnc2nc3ccccc13
OpenEye OEToolkits 2.0.6c1ccc2c(c1)c(n3c(n2)nnn3)O
ACDLabs 12.01c21nc3nnnn3c(c1cccc2)O
Name:tetrazolo[5,1-b]quinazolin-9-ol
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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