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BioLiP

PDB CCD ID: NKW
Number of entries in BioLiP: 2
Chemical formula: C6 H4 Br N3
InChI: InChI=1S/C6H4BrN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10)
InChIKey: BQCIJWPKDPZNHD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Brc1ccc2nn[nH]c2c1
OpenEye OEToolkits 2.0.7c1cc2c(cc1Br)[nH]nn2
Name:6-bromanyl-1~{H}-benzotriazole
ZINC: ZINC000019859472
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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