SEQ2FUN

BioLiP

PDB CCD ID: QXW
Number of entries in BioLiP: 3
Chemical formula: C5 H2 Br2 N4
InChI: InChI=1S/C5H2Br2N4/c6-2-1-3-5(8-4(2)7)10-11-9-3/h1H,(H,8,9,10,11)
InChIKey: WKRYLZOTKJYHJM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c2c(nc(c1Br)Br)nn[nH]2
CACTVS 3.385Brc1cc2[nH]nnc2nc1Br
Name: 5,6-dibromo-1H-triazolo[4,5-b]pyridine;
5,6-bis(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).