SEQ2FUN

BioLiP

PDB CCD ID: FBB
Number of entries in BioLiP: 12
Chemical formula: C7 H5 F N2 S
InChI: InChI=1S/C7H5FN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
InChIKey: CJLUXPZQUXVJNF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2c(cc1F)sc(n2)N
CACTVS 3.370Nc1sc2cc(F)ccc2n1
ACDLabs 12.01Fc1ccc2nc(sc2c1)N
Name:6-fluoro-1,3-benzothiazol-2-amine
ChEMBL: CHEMBL98406
ZINC: ZINC000017744334
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).