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BioLiP

PDB CCD ID: F4J
Number of entries in BioLiP: 1
Chemical formula: C13 H8 N6 O
InChI: InChI=1S/C13H8N6O/c20-13-9-2-1-8(3-7(9)4-14-13)19-12-10-11(16-5-15-10)17-6-18-12/h1-6H,(H2,15,16,17,18,19)
InChIKey: PQHXLRLXDDKGGR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1c2c(C=N1)cc(cc2)Nc3c4ncnc4ncn3
CACTVS 3.385O=C1N=Cc2cc(Nc3ncnc4nc[nH]c34)ccc12
OpenEye OEToolkits 2.0.6c1cc2c(cc1Nc3c4c(nc[nH]4)ncn3)C=NC2=O
Name:5-[(7H-purin-6-yl)amino]-1H-isoindol-1-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).
  • 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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