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BioLiP

PDB CCD ID: IGA
Number of entries in BioLiP: 1
Chemical formula: C5 H5 N5 O
InChI: InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11)
InChIKey: DRAVOWXCEBXPTN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1[nH]c2c(n1)NC(=O)N=C2N
CACTVS 3.370NC1=NC(=O)Nc2nc[nH]c12
ACDLabs 12.01O=C2N=C(c1c(ncn1)N2)N
Name:6-amino-3,7-dihydro-2H-purin-2-one;
Isoguanine
ChEMBL: CHEMBL506639
ZINC: ZINC000084403374
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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