SEQ2FUN

BioLiP

PDB CCD ID: TBS
Number of entries in BioLiP: 8
Chemical formula: C6 H Br4 N3
InChI: InChI=1S/C6HBr4N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13)
InChIKey: OMZYUVOATZSGJY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c12c(c(c(c(c1Br)Br)Br)Br)nn[nH]2
ACDLabs 10.04Brc2c1c(nnn1)c(Br)c(Br)c2Br
CACTVS 3.341Brc1c(Br)c(Br)c2nn[nH]c2c1Br
Name:4,5,6,7-TETRABROMOBENZOTRIAZOLE;
TETRABROMO-2-BENZOTRIAZOLE
ChEMBL: CHEMBL177820
DrugBank: DB04462
ZINC: ZINC000003870968
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).