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BioLiP Library

PDB CCD ID: 8S4
Number of entries in BioLiP: 1
Chemical formula: C9 H10 N4 O
InChI: InChI=1S/C9H10N4O/c1-14-9-4-2-8(3-5-9)6-13-7-10-11-12-13/h2-5,7H,6H2,1H3
InChIKey: ODJQFWLXWRQLSQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6COc1ccc(cc1)Cn2cnnn2
ACDLabs 12.01n2(Cc1ccc(OC)cc1)cnnn2
CACTVS 3.385COc1ccc(Cn2cnnn2)cc1
Name:1-[(4-methoxyphenyl)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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