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BioLiP Library

PDB CCD ID: MY6
Number of entries in BioLiP: 16
Chemical formula: C6 H7 N5 O
InChI: InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)
InChIKey: FZWGECJQACGGTI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Cn1cnc2N=C(N)NC(=O)c12
OpenEye OEToolkits 1.7.0Cn1cnc2c1C(=O)NC(=N2)N
ACDLabs 12.01O=C1c2c(N=C(N1)N)ncn2C
Name:2-amino-7-methyl-1,7-dihydro-6H-purin-6-one
ZINC: ZINC000008613011
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)(download the PDF file).
  • 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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