SEQ2FUN

BioLiP

PDB CCD ID: ZVN
Number of entries in BioLiP: 1
Chemical formula: C11 H13 N3 S
InChI: InChI=1S/C11H13N3S/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
InChIKey: LLQMZXMBCQNMJV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)nc(s2)N3CCNCC3
ACDLabs 12.01c1cccc2sc(nc12)N1CCNCC1
CACTVS 3.385C1CN(CCN1)c2sc3ccccc3n2
Name:2-(piperazin-1-yl)-1,3-benzothiazole
ChEMBL: CHEMBL1702558
ZINC: ZINC000000242024
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).