SEQ2FUN

BioLiP

PDB CCD ID: 55E
Number of entries in BioLiP: 3
Chemical formula: C17 H14 N2 O2
InChI: InChI=1S/C17H14N2O2/c1-11-9-13(7-8-16(11)20)15-10-14(18-17(21)19-15)12-5-3-2-4-6-12/h2-9,20H,10H2,1H3
InChIKey: AZXKZZMGLACNIJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		Cc1cc(ccc1O)C2=NC(=O)N=C(C2)c3ccccc3
ACDLabs 10.04O=C2N=C(c1ccccc1)CC(=N2)c3ccc(O)c(c3)C
Name:4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5H)-one
DrugBank: DB07151
ZINC: ZINC000039122795
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).