SEQ2FUN

BioLiP

PDB CCD ID: N6N
Number of entries in BioLiP: 1
Chemical formula: C8 H6 Br N3 S
InChI: InChI=1S/C8H6BrN3S/c9-6-3-1-2-5(4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
InChIKey: ALETZOQAGIEADS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Brc1cccc(c1)C2=NNC(=S)N2
OpenEye OEToolkits 2.0.7c1cc(cc(c1)Br)C2=NNC(=S)N2
Name:3-(3-bromophenyl)-1,4-dihydro-1,2,4-triazole-5-thione
ChEMBL: CHEMBL1334768
ZINC: ZINC000017946037

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).