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BioLiP Library

PDB CCD ID: A1LXN
Number of entries in BioLiP: 0
Chemical formula: C6 H7 N5 O
InChI: InChI=1S/C6H7N5O/c1-2-8-3-4(9-2)10-6(7)11-5(3)12/h1H3,(H4,7,8,9,10,11,12)
InChIKey: DJGMEMUXTWZGIC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1[nH]c2c(n1)C(=O)NC(=N2)N
CACTVS 3.385Cc1[nH]c2N=C(N)NC(=O)c2n1
Name:2-azanyl-8-methyl-1,9-dihydropurin-6-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)(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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