SEQ2FUN

BioLiP

PDB CCD ID: IZV
Number of entries in BioLiP: 10
Chemical formula: C14 H12 N2 O S
InChI: InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3
InChIKey: ZQAQXZBSGZUUNL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNc1ccc(cc1)c2nc3ccc(cc3s2)O
CACTVS 3.385CNc1ccc(cc1)c2sc3cc(O)ccc3n2
Name:2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol
ChEMBL: CHEMBL93124
ZINC: ZINC000003816332
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).