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BioLiP

PDB CCD ID: B60
Number of entries in BioLiP: 2
Chemical formula: C7 H9 N5 O
InChI: InChI=1S/C7H9N5O/c1-12-3-2-9-4-5(12)10-7(8)11-6(4)13/h2H,3H2,1H3,(H3,8,10,11,13)
InChIKey: NJYUAWHEKRBMQB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CN1CC=NC2=C1N=C(N)NC2=O
OpenEye OEToolkits 1.5.0CN1CC=NC2=C1N=C(NC2=O)N
ACDLabs 10.04O=C1C=2N=CCN(C=2N=C(N1)N)C
Name:2-amino-8-methyl-7,8-dihydropteridin-4(3H)-one
ChEMBL: CHEMBL577755
ZINC: ZINC000017107472
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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