SEQ2FUN

BioLiP

PDB CCD ID: A1BIP
Number of entries in BioLiP: 1
Chemical formula: C18 H11 F2 N3
InChI: InChI=1S/C18H11F2N3/c19-14-3-1-12(2-4-14)17-18(13-5-8-21-9-6-13)23-10-7-15(20)11-16(23)22-17/h1-11H
InChIKey: JNYOBIJMALSMIZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc(ccc1c2c(n3ccc(cc3n2)F)c4ccncc4)F
CACTVS 3.385Fc1ccc(cc1)c2nc3cc(F)ccn3c2c4ccncc4
ACDLabs 14.52Fc1ccc(cc1)c1nc2cc(F)ccn2c1c1ccncc1
Name:7-fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)imidazo[1,2-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).