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BioLiP Library

PDB CCD ID: 7M0
Number of entries in BioLiP: 7
Chemical formula: C6 H3 Br2 N3
InChI: InChI=1S/C6H3Br2N3/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,(H,9,10,11)
InChIKey: DULRVLLMOREPRG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1c2c(cc(c1Br)Br)nn[nH]2
CACTVS 3.385Brc1cc2[nH]nnc2cc1Br
Name:5,6-DIBROMOBENZOTRIAZOLE;
DIBROMO-2-BENZOTRIAZOLE
ZINC: ZINC000005286147
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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