SEQ2FUN

BioLiP

PDB CCD ID: S0E
Number of entries in BioLiP: 1
Chemical formula: C8 H5 F3 N2 S
InChI: InChI=1S/C8H5F3N2S/c9-8(10,11)4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)
InChIKey: WEDYEBJLWMPPOK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2c(cc1C(F)(F)F)sc(n2)N
ACDLabs 12.01FC(F)(F)c1ccc2nc(sc2c1)N
CACTVS 3.385Nc1sc2cc(ccc2n1)C(F)(F)F
Name:6-(trifluoromethyl)-1,3-benzothiazol-2-amine
ChEMBL: CHEMBL442384
ZINC: ZINC000002562250
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).