SEQ2FUN

BioLiP

PDB CCD ID: A1CEI
Number of entries in BioLiP: 1
Chemical formula: C7 H5 Br N4
InChI: InChI=1S/C7H5BrN4/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChIKey: YMZMDMWMKVPGDP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc(ccc1c2[nH]nnn2)Br
CACTVS 3.385Brc1ccc(cc1)c2[nH]nnn2
ACDLabs 14.52Brc1ccc(cc1)c1nnn[NH]1
Name:5-(4-bromophenyl)-1H-tetrazole
ChEMBL: CHEMBL1471025
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).