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BioLiP

PDB CCD ID: 0CT
Number of entries in BioLiP: 3
Chemical formula: C6 H5 N3
InChI: InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)
InChIKey: QRUDEWIWKLJBPS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370[nH]1nnc2ccccc12
OpenEye OEToolkits 1.7.6c1ccc2c(c1)[nH]nn2
ACDLabs 12.01n1nnc2ccccc12
Name:1H-benzotriazole
ChEMBL: CHEMBL84963
ZINC: ZINC000000332008
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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