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BioLiP

PDB CCD ID: 5TY
Number of entries in BioLiP: 2
Chemical formula: C10 H12 N4 O
InChI: InChI=1S/C10H12N4O/c1-13(2)10-11-6-7-8(12-10)4-5-14(3)9(7)15/h4-6H,1-3H3
InChIKey: YKBGUFTWJZHVCT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4CN1C=Cc2c(cnc(n2)N(C)C)C1=O
CACTVS 3.385CN(C)c1ncc2C(=O)N(C)C=Cc2n1
Name:2-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one
ChEMBL: CHEMBL3824040
ZINC: ZINC000064557077
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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