SEQ2FUN

BioLiP

PDB CCD ID: F4G
Number of entries in BioLiP: 1
Chemical formula: C13 H10 N4 O
InChI: InChI=1S/C13H10N4O/c14-12(18)10-4-2-6-17-11(8-16-13(10)17)9-3-1-5-15-7-9/h1-8H,(H2,14,18)
InChIKey: WEFADYMRJJMXCA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(N)c1c2n(ccc1)c(cn2)c3cnccc3
OpenEye OEToolkits 2.0.6c1cc(cnc1)c2cnc3n2cccc3C(=O)N
CACTVS 3.385NC(=O)c1cccn2c(cnc12)c3cccnc3
Name:3-(pyridin-3-yl)imidazo[1,2-a]pyridine-8-carboxamide
ChEMBL: CHEMBL4091092

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).