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BioLiP

PDB CCD ID: NKT
Number of entries in BioLiP: 2
Chemical formula: C6 H3 Br2 N3
InChI: InChI=1S/C6H3Br2N3/c7-3-1-2-4-6(5(3)8)10-11-9-4/h1-2H,(H,9,10,11)
InChIKey: GBXBSLXFJIVISJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Brc1ccc2nn[nH]c2c1Br
OpenEye OEToolkits 2.0.7c1cc(c(c2c1nn[nH]2)Br)Br
Name:6,7-bis(bromanyl)-1~{H}-benzotriazole
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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