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BioLiP

PDB CCD ID: M4B
Number of entries in BioLiP: 2
Chemical formula: C11 H9 N3 O3
InChI: InChI=1S/C11H9N3O3/c1-7-10(14(16)17)9(13-11(15)12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13,15)
InChIKey: BMHIIRNFKJMVNM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1=C(C(=NC(=O)N1)c2ccccc2)[N+](=O)[O-]
CACTVS 3.385CC1=C(C(=NC(=O)N1)c2ccccc2)[N+]([O-])=O
Name:6-methyl-5-nitro-4-phenyl-1~{H}-pyrimidin-2-one
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)(download the PDF file).
  • 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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