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BioLiP

PDB CCD ID: A1H9X
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N3 O2
InChI: InChI=1S/C11H11N3O2/c15-10-9(7-13-11(16)14-10)12-6-8-4-2-1-3-5-8/h1-5,7,12H,6H2,(H2,13,14,15,16)
InChIKey: PBRBBWKUUQNONR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1NC=C(NCc2ccccc2)C(=O)N1
OpenEye OEToolkits 2.0.7c1ccc(cc1)CNC2=CNC(=O)NC2=O
Name:5-[(phenylmethyl)amino]-1~{H}-pyrimidine-2,4-dione;
5-(Benzylamino)pyrimidine-2,4(1h,3h)-dione
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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