SEQ2FUN

BioLiP

PDB CCD ID: AWM
Number of entries in BioLiP: 3
Chemical formula: C12 H15 N3 S
InChI: InChI=1S/C12H15N3S/c1-14-6-8-15(9-7-14)12-13-10-4-2-3-5-11(10)16-12/h2-5H,6-9H2,1H3
InChIKey: DZERTEQKWVKWJP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CN1CCN(CC1)c2nc3ccccc3s2
CACTVS 3.385CN1CCN(CC1)c2sc3ccccc3n2
Name:2-(4-methylpiperazin-1-yl)-1,3-benzothiazole
ZINC: ZINC000000022035
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).