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BioLiP

PDB CCD ID: W8D
Number of entries in BioLiP: 1
Chemical formula: C10 H13 N5 O
InChI: InChI=1S/C10H13N5O/c11-9-8-10(13-5-12-8)15(6-14-9)4-7-2-1-3-16-7/h5-7H,1-4,11H2/t7-/m1/s1
InChIKey: GVRQWFFFCDLKPP-SSDOTTSWSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C3(CN2C=NC(=C1N=CN=C12)N)CCCO3
OpenEye OEToolkits 2.0.7c1nc-2c(ncn(c2n1)CC3CCCO3)N
CACTVS 3.385Nc1ncn(C[CH]2CCCO2)c3ncnc13
OpenEye OEToolkits 2.0.7c1nc-2c(ncn(c2n1)C[C@H]3CCCO3)N
CACTVS 3.385Nc1ncn(C[C@H]2CCCO2)c3ncnc13
Name:3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-amine
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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