SEQ2FUN

BioLiP

PDB CCD ID: A1BG5
Number of entries in BioLiP: 1
Chemical formula: C15 H14 N4 O
InChI: InChI=1S/C15H14N4O/c1-10-8-16-5-3-13(10)18-15(20)12-4-6-19-9-11(2)17-14(19)7-12/h3-9H,1-2H3,(H,16,18,20)
InChIKey: FOMZSURVVLMOJM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0Cc1cnccc1NC(=O)c2ccn3cc(nc3c2)C
CACTVS 3.385Cc1cn2ccc(cc2n1)C(=O)Nc3ccncc3C
ACDLabs 14.52Cc1cnccc1NC(=O)c1cc2nc(C)cn2cc1
Name:(4R)-2-methyl-N-(3-methylpyridin-4-yl)imidazo[1,2-a]pyridine-7-carboxamide
ChEMBL: CHEMBL5599143
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).