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BioLiP Library

PDB CCD ID: HD9
Number of entries in BioLiP: 2
Chemical formula: C11 H15 N5 O5
InChI: InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7-,10-/m1/s1
InChIKey: IXOXBSCIXZEQEQ-KQYNXXCUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1c2c(nc(n1)N)n(cn2)C3C(C(C(O3)CO)O)O
OpenEye OEToolkits 2.0.7COc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
CACTVS 3.385COc1nc(N)nc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
CACTVS 3.385COc1nc(N)nc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
Name:(2R,3R,4S,5R)-2-(2-azanyl-6-methoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
ChEMBL: CHEMBL406852
ZINC: ZINC000005998706
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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