SEQ2FUN

BioLiP

PDB CCD ID: AJ1
Number of entries in BioLiP: 4
Chemical formula: C10 H11 N3 O S
InChI: InChI=1S/C10H11N3OS/c1-6(14)12-7-3-4-8-9(5-7)15-10(11-2)13-8/h3-5H,1-2H3,(H,11,13)(H,12,14)
InChIKey: YPYAGNMJHWIZMQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC(=O)Nc1ccc2c(c1)sc(n2)NC
CACTVS 3.385CNc1sc2cc(NC(C)=O)ccc2n1
ACDLabs 12.01O=C(Nc1ccc2nc(sc2c1)NC)C
Name:N-(2-METHYLAMINO)-1,3-BENZOTHIAZOL-6-YL)ACETAMIDE
ChEMBL: CHEMBL2058997
ZINC: ZINC000045238023
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).