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BioLiP

PDB CCD ID: WQH
Number of entries in BioLiP: 1
Chemical formula: C15 H14 N4 O
InChI: InChI=1S/C15H14N4O/c1-11-7-8-12(10-15-16-18-19-17-15)9-14(11)20-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,16,17,18,19)
InChIKey: VNKDKYCIFGXJHT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Cc1ccc(cc1Oc1ccccc1)Cc1nnn[NH]1
CACTVS 3.385Cc1ccc(Cc2[nH]nnn2)cc1Oc3ccccc3
OpenEye OEToolkits 2.0.7Cc1ccc(cc1Oc2ccccc2)Cc3[nH]nnn3
Name:5-[(4-methyl-3-phenoxyphenyl)methyl]-1H-tetrazole
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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