SEQ2FUN

BioLiP

PDB CCD ID: 2BS
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N2 O2 S
InChI: InChI=1S/C10H10N2O2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3,(H2,11,12)
InChIKey: VYJSGJXWKSDUSG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352CCOC(=O)c1ccc2nc(N)sc2c1
OpenEye OEToolkits 1.7.0CCOC(=O)c1ccc2c(c1)sc(n2)N
Name:ethyl 2-amino-1,3-benzothiazole-6-carboxylate;
2-amino-benzothiazole-6-carboxylic acid ethyl ester
ChEMBL: CHEMBL95874
ZINC: ZINC000000050705
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).