SEQ2FUN

BioLiP

PDB CCD ID: BM8
Number of entries in BioLiP: 2
Chemical formula: C14 H12 N2 S
InChI: InChI=1S/C14H12N2S/c1-9-8-10(6-7-11(9)15)14-16-12-4-2-3-5-13(12)17-14/h2-8H,15H2,1H3
InChIKey: IDBCUMFOZBUJCL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cc(ccc1N)c2sc3ccccc3n2
OpenEye OEToolkits 2.0.6Cc1cc(ccc1N)c2nc3ccccc3s2
Name:4-(1,3-benzothiazol-2-yl)-2-methyl-aniline
ChEMBL: CHEMBL11825
ZINC: ZINC000000006701
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).