SEQ2FUN

BioLiP

PDB CCD ID: 0NJ
Number of entries in BioLiP: 1
Chemical formula: C14 H10 F N O S
InChI: InChI=1S/C14H10FNOS/c1-17-9-6-7-12-13(8-9)18-14(16-12)10-4-2-3-5-11(10)15/h2-8H,1H3
InChIKey: PPGLEUILAOUYQO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Fc3ccccc3c1nc2ccc(OC)cc2s1
OpenEye OEToolkits 1.7.6COc1ccc2c(c1)sc(n2)c3ccccc3F
CACTVS 3.370COc1ccc2nc(sc2c1)c3ccccc3F
Name:2-(2-fluorophenyl)-6-methoxy-1,3-benzothiazole
ChEMBL: CHEMBL508666
ZINC: ZINC000013831164
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).