SEQ2FUN

BioLiP

PDB CCD ID: SK8
Number of entries in BioLiP: 3
Chemical formula: C16 H12 F N3 S
InChI: InChI=1S/C16H12FN3S/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-21-16(20)19-14/h1-8H,9-10H2
InChIKey: YOELZIQOLWZLQC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1ccc(cc1)c2nc3SCCn3c2c4ccncc4
OpenEye OEToolkits 1.7.6c1cc(ccc1c2c(n3c(n2)SCC3)c4ccncc4)F
ACDLabs 12.01Fc4ccc(c1nc3SCCn3c1c2ccncc2)cc4
Name:6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole;
SKF-86002
ChEMBL: CHEMBL313417
ZINC: ZINC000001842518
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).