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BioLiP Library

PDB CCD ID: JXZ
Number of entries in BioLiP: 1
Chemical formula: C8 H11 N5 O
InChI: InChI=1S/C8H11N5O/c1-5-12-6-7(9)10-4-11-8(6)13(5)2-3-14/h4,14H,2-3H2,1H3,(H2,9,10,11)
InChIKey: JSYNJZZGNMUJED-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1nc2c(N)ncnc2n1CCO
OpenEye OEToolkits 2.0.7Cc1nc2c(ncnc2n1CCO)N
Name:2-(6-azanyl-8-methyl-purin-9-yl)ethanol
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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