SEQ2FUN

BioLiP

PDB CCD ID: K2T
Number of entries in BioLiP: 1
Chemical formula: C8 H8 N2 S
InChI: InChI=1S/C8H8N2S/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H2,9,10)
InChIKey: DZWTXWPRWRLHIL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1ccc2c(c1)sc(n2)N
CACTVS 3.385Cc1ccc2nc(N)sc2c1
ACDLabs 12.01n1c2ccc(cc2sc1N)C
Name:6-methyl-1,3-benzothiazol-2-amine
ChEMBL: CHEMBL94512
ZINC: ZINC000008581442
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).