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BioLiP

PDB CCD ID: NKB
Number of entries in BioLiP: 2
Chemical formula: C6 H2 Br3 N3
InChI: InChI=1S/C6H2Br3N3/c7-2-1-3-6(11-12-10-3)5(9)4(2)8/h1H,(H,10,11,12)
InChIKey: UDYRCOANXIWHAL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c2c(c(c(c1Br)Br)Br)[nH]nn2
CACTVS 3.385Brc1cc2nn[nH]c2c(Br)c1Br
Name:5,6,7-tris(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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