SEQ2FUN

BioLiP

PDB CCD ID: DYC
Number of entries in BioLiP: 2
Chemical formula: C11 H7 Br N2 S
InChI: InChI=1S/C11H7BrN2S/c12-9-3-1-8(2-4-9)10-7-15-11-13-5-6-14(10)11/h1-7H
InChIKey: LVDOGHLCDFUJNK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1c2csc3n2ccn3)Br
CACTVS 3.385Brc1ccc(cc1)c2csc3nccn23
Name:3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole
ChEMBL: CHEMBL4556305
ZINC: ZINC000000192232
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).