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BioLiP

PDB CCD ID: 44W
Number of entries in BioLiP: 1
Chemical formula: C7 H9 N5 O
InChI: InChI=1S/C7H9N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h2H2,1H3,(H4,8,9,11,12,13)
InChIKey: ZGSZMKMOKGLFHK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1C=2N=C(CNC=2N=C(N)N1)C
CACTVS 3.385CC1=NC2=C(NC1)N=C(N)NC2=O
OpenEye OEToolkits 1.9.2CC1=NC2=C(NC1)N=C(NC2=O)N
Name:2-amino-6-methyl-7,8-dihydropteridin-4(3H)-one
ChEMBL: CHEMBL317940
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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