SEQ2FUN

BioLiP

PDB CCD ID: 88X
Number of entries in BioLiP: 1
Chemical formula: C15 H13 N3 O2
InChI: InChI=1S/C15H13N3O2/c1-2-11-8-13(19)17-15-16-12(9-18(11)15)14(20)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,16,17,19)
InChIKey: VHONGMGMJIQAAN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.5CCC1=CC(=O)N=C2N1C=C(N2)C(=O)c3ccccc3
CACTVS 3.385CCC1=CC(=O)N=C2NC(=CN12)C(=O)c3ccccc3
Name:5-ethyl-2-(phenylcarbonyl)imidazo[1,2-a]pyrimidin-7(1H)-one
ZINC: ZINC000044460255
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).