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BioLiP

PDB CCD ID: QHB
Number of entries in BioLiP: 1
Chemical formula: C7 H7 N3 O
InChI: InChI=1S/C7H7N3O/c1-11-6-4-2-3-5-7(6)9-10-8-5/h2-4H,1H3,(H,8,9,10)
InChIKey: BFBZLCUTOUZMLJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cccc2nn[nH]c12
OpenEye OEToolkits 2.0.7COc1cccc2c1[nH]nn2
Name:7-methoxy-1~{H}-benzotriazole
ChEMBL: CHEMBL4879253
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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