SEQ2FUN

BioLiP

PDB CCD ID: IWU
Number of entries in BioLiP: 8
Chemical formula: C5 H3 Br N4
InChI: InChI=1S/C5H3BrN4/c6-3-1-4-5(7-2-3)9-10-8-4/h1-2H,(H,7,8,9,10)
InChIKey: YKWWQNVTTSHHGH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Brc1cnc2[nH]nnc2c1
OpenEye OEToolkits 2.0.7c1c(cnc2c1nn[nH]2)Br
Name:6-bromanyl-3H-[1,2,3]triazolo[4,5-b]pyridine
ChEMBL: CHEMBL5206363
ZINC: ZINC000019857217
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).