SEQ2FUN

BioLiP

PDB CCD ID: KYI
Number of entries in BioLiP: 2
Chemical formula: C16 H12 N2 O2
InChI: InChI=1S/C16H12N2O2/c19-15-14(10-17-16(20)18-15)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-10H,(H2,17,18,19,20)
InChIKey: KRZFUPKUAGIREV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1NC=C(C(=O)N1)c2ccccc2c3ccccc3
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ccccc2C3=CNC(=O)NC3=O
Name:5-(2-phenylphenyl)-1H-pyrimidine-2,4-dione
ZINC: ZINC000067743651
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).