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BioLiP

PDB CCD ID: 29H
Number of entries in BioLiP: 0
Chemical formula: C6 H5 N5 O
InChI: InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)1-8-2-9-4/h1-2H,(H3,7,8,9,10,11,12)
InChIKey: HHOGMIYMABYION-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC1=Nc2ncncc2C(=O)N1
ACDLabs 12.01O=C1c2cncnc2N=C(N)N1
OpenEye OEToolkits 1.7.6c1c2c(ncn1)N=C(NC2=O)N
Name:2-aminopyrimido[4,5-d]pyrimidin-4(3H)-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).
  • 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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