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BioLiP

PDB CCD ID: QWW
Number of entries in BioLiP: 3
Chemical formula: C5 H Br3 N4
InChI: InChI=1S/C5HBr3N4/c6-1-2(7)4(8)9-5-3(1)10-12-11-5/h(H,9,10,11,12)
InChIKey: SIDPOVAKIOFKQR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Brc1nc2nn[nH]c2c(Br)c1Br
OpenEye OEToolkits 2.0.7c12c(c(c(nc1nn[nH]2)Br)Br)Br
Name:5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine
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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