SEQ2FUN

BioLiP

PDB CCD ID: A1I8D
Number of entries in BioLiP: 1
Chemical formula: C11 H9 N3 O S
InChI: InChI=1S/C11H9N3OS/c15-6-10-12-13-11-14(10)9(7-16-11)8-4-2-1-3-5-8/h1-5,7,15H,6H2
InChIKey: ILRITMYZUAKNSZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2csc3n2c(nn3)CO
CACTVS 3.385OCc1nnc2scc(n12)c3ccccc3
Name:(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanol
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).