SEQ2FUN

BioLiP

PDB CCD ID: A1BIQ
Number of entries in BioLiP: 1
Chemical formula: C19 H11 F N4
InChI: InChI=1S/C19H11FN4/c20-16-3-1-14(2-4-16)18-19(15-5-8-22-9-6-15)24-10-7-13(12-21)11-17(24)23-18/h1-11H
InChIKey: LLQLNAJIXQGXFP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc(ccc1c2c(n3ccc(cc3n2)C#N)c4ccncc4)F
CACTVS 3.385Fc1ccc(cc1)c2nc3cc(ccn3c2c4ccncc4)C#N
ACDLabs 14.52Fc1ccc(cc1)c1nc2cc(ccn2c1c1ccncc1)C#N
Name:2-(4-fluorophenyl)-3-(pyridin-4-yl)imidazo[1,2-a]pyridine-7-carbonitrile
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).