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BioLiP

PDB CCD ID: K6X
Number of entries in BioLiP: 1
Chemical formula: C7 H Br5 N2
InChI: InChI=1S/C7HBr5N2/c8-2-1-6(13-14-7(1)12)5(11)4(10)3(2)9/h(H,13,14)
InChIKey: WQPXVZWNOLUBMY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c12c(c(c(c(c1Br)Br)Br)Br)[nH]nc2Br
CACTVS 3.352Brc1n[nH]c2c(Br)c(Br)c(Br)c(Br)c12
Name:3,4,5,6,7-pentabromo-1H-indazole
ZINC: ZINC000058638743
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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