SEQ2FUN

BioLiP

PDB CCD ID: K8A
Number of entries in BioLiP: 2
Chemical formula: C6 H4 Br N5
InChI: InChI=1S/C6H4BrN5/c7-5-1-4(2-8-3-5)6-9-11-12-10-6/h1-3H,(H,9,10,11,12)
InChIKey: XJGDASCALCDOQH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Brc1cncc(c1)c2n[nH]nn2
ACDLabs 12.01Brc2cncc(c1nnnn1)c2
OpenEye OEToolkits 1.7.6c1c(cncc1Br)c2n[nH]nn2
Name:3-bromo-5-(2H-tetrazol-5-yl)pyridine
ChEMBL: CHEMBL2425111
ZINC: ZINC000002523077
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).