SEQ2FUN

BioLiP

PDB CCD ID: K22
Number of entries in BioLiP: 1
Chemical formula: C7 H2 Br4 N2 S
InChI: InChI=1S/C7H2Br4N2S/c8-1-2(9)4(11)6-5(3(1)10)12-7(14)13-6/h(H2,12,13,14)
InChIKey: GYVCACUYQFXPLN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c12c(c(c(c(c1Br)Br)Br)Br)NC(=S)N2
CACTVS 3.341Brc1c(Br)c(Br)c2NC(=S)Nc2c1Br
ACDLabs 10.04Brc1c2c(c(Br)c(Br)c1Br)NC(=S)N2
Name:4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-THIONE
ChEMBL: CHEMBL608394
ZINC: ZINC000013858643
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).