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BioLiP

PDB CCD ID: M4K
Number of entries in BioLiP: 2
Chemical formula: C15 H17 N3 O2
InChI: InChI=1S/C15H17N3O2/c19-14-8-12(16-15(20)17-14)10-18(13-6-7-13)9-11-4-2-1-3-5-11/h1-5,13H,6-10H2,(H,17,19,20)
InChIKey: DKPZCWNOVJTLGU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CN(CC2=NC(=O)NC(=O)C2)C3CC3
CACTVS 3.385O=C1CC(=NC(=O)N1)CN(Cc2ccccc2)C3CC3
Name:6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-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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