SEQ2FUN

BioLiP

PDB CCD ID: V0B
Number of entries in BioLiP: 1
Chemical formula: C18 H15 N5 O2
InChI: InChI=1S/C18H15N5O2/c1-12-5-6-15-20-13(11-22(15)10-12)9-19-18(25)14-8-17(24)23-7-3-2-4-16(23)21-14/h2-8,10-11H,9H2,1H3,(H,19,25)
InChIKey: HGTYDECGVDYGCR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc2nc(CNC(=O)C3=CC(=O)N4C=CC=CC4=N3)cn2c1
OpenEye OEToolkits 2.0.7Cc1ccc2nc(cn2c1)CNC(=O)C3=CC(=O)N4C=CC=CC4=N3
Name:N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-2-carboxamide;
~{N}-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-2-carboxamide

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).