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BioLiP

PDB CCD ID: 2PR
Number of entries in BioLiP: 0
Chemical formula: C10 H14 N5 O6 P
InChI: InChI=1S/C10H14N5O6P/c11-10-12-2-5-9(14-10)15(4-13-5)8-1-6(16)7(21-8)3-20-22(17,18)19/h2,4,6-8,16H,1,3H2,(H2,11,12,14)(H2,17,18,19)/t6-,7+,8+/m0/s1
InChIKey: XLBUIHNMZIQVTK-XLPZGREQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O
CACTVS 3.341Nc1ncc2ncn([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c2n1
CACTVS 3.341Nc1ncc2ncn([C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3)c2n1
OpenEye OEToolkits 1.5.0c1c2c(nc(n1)N)n(cn2)C3CC(C(O3)COP(=O)(O)O)O
ACDLabs 10.04O=P(O)(O)OCC3OC(n2cnc1cnc(nc12)N)CC3O
Name:2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-9H-PURINE-5'-MONOPHOSPHATE;
2-AMINOPURINE-2'-DEOXYRIBO-5'-MONOPHOSPHATE
ZINC: ZINC000058631576
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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