SEQ2FUN

BioLiP

PDB CCD ID: A1H9S
Number of entries in BioLiP: 1
Chemical formula: C12 H13 N3 O2
InChI: InChI=1S/C12H13N3O2/c16-11-10(8-14-12(17)15-11)13-7-6-9-4-2-1-3-5-9/h1-5,8,13H,6-7H2,(H2,14,15,16,17)
InChIKey: YTAWLGVMCALKQG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1NC=C(NCCc2ccccc2)C(=O)N1
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCNC2=CNC(=O)NC2=O
Name:5-(2-phenylethylamino)-1H-pyrimidine-2,4-dione
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).