SEQ2FUN

BioLiP

PDB CCD ID: ABV
Number of entries in BioLiP: 10
Chemical formula: C7 H6 N2 S
InChI: InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)
InChIKey: UHGULLIUJBCTEF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc2c(c1)nc(s2)N
CACTVS 3.370Nc1sc2ccccc2n1
ACDLabs 12.01n1c2ccccc2sc1N
Name:1,3-benzothiazol-2-amine;
2-Aminobenzothiazole
ChEMBL: CHEMBL329785
ZINC: ZINC000006476824
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).