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BioLiP

PDB CCD ID: QIJ
Number of entries in BioLiP: 0
Chemical formula: C7 H7 N5 O2
InChI: InChI=1S/C7H7N5O2/c1-12-3(13)2-9-4-5(8)10-7(14)11-6(4)12/h2H,1H3,(H3,8,10,11,14)
InChIKey: IIYMXMJOUCDTSZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CN1C(=O)C=NC2=C1NC(=O)N=C2N
ACDLabs 12.01O=C1NC2=C(N=CC(=O)N2C)C(N)=N1
Name:4-amino-8-methylpteridine-2,7(1H,8H)-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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