SEQ2FUN

BioLiP

PDB CCD ID: M56
Number of entries in BioLiP: 1
Chemical formula: C9 H8 N2 O S
InChI: InChI=1S/C9H8N2OS/c1-10-9(12)6-2-3-7-8(4-6)13-5-11-7/h2-5H,1H3,(H,10,12)
InChIKey: KSBMLBBPMOTYRO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNC(=O)c1ccc2c(c1)scn2
CACTVS 3.385CNC(=O)c1ccc2ncsc2c1
Name:~{N}-methyl-1,3-benzothiazole-6-carboxamide
ChEMBL: CHEMBL5179886
ZINC: ZINC000033026339
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).