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BioLiP

PDB CCD ID: O2Z
Number of entries in BioLiP: 0
Chemical formula: C10 H16 N7 O7 P
InChI: InChI=1S/C10H16N7O7P/c11-10-14-7(16-12)4-8(15-10)17(2-13-4)9-6(19)5(18)3(24-9)1-23-25(20,21)22/h2-3,5-6,9,18-19H,1,12H2,(H2,20,21,22)(H3,11,14,15,16)/t3-,5-,6-,9-/m1/s1
InChIKey: QHLBVSKMFFHOCN-UUOKFMHZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NNc1nc(N)nc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.385NNc1nc(N)nc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 2.0.7c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N)NN
OpenEye OEToolkits 2.0.7c1nc2c(nc(nc2n1C3C(C(C(O3)COP(=O)(O)O)O)O)N)NN
Name:[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-diazanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxyphosphinic acid
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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