SEQ2FUN

BioLiP

PDB CCD ID: A1BIN
Number of entries in BioLiP: 1
Chemical formula: C18 H11 F2 N3
InChI: InChI=1S/C18H11F2N3/c19-14-3-1-13(2-4-14)18-17(12-7-9-21-10-8-12)16-6-5-15(20)11-23(16)22-18/h1-11H
InChIKey: GUFYXIGRLFFABU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc(ccc1c2c(c3ccc(cn3n2)F)c4ccncc4)F
ACDLabs 14.52Fc1ccc(cc1)c1nn2cc(F)ccc2c1c1ccncc1
CACTVS 3.385Fc1ccc(cc1)c2nn3cc(F)ccc3c2c4ccncc4
Name:6-fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
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).