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BioLiP Library

PDB CCD ID: 4EN
Number of entries in BioLiP: 0
Chemical formula: C10 H14 N5 O6 P
InChI: InChI=1S/C10H14N5O6P/c11-9-5-2-15(14-10(5)13-4-12-9)8-1-6(16)7(21-8)3-20-22(17,18)19/h2,4,6-8,16H,1,3H2,(H2,17,18,19)(H2,11,12,13,14)/t6-,7+,8+/m0/s1
InChIKey: FDWHQNINLXXWJY-XLPZGREQSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ncnc2nn(cc12)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3
OpenEye OEToolkits 1.7.6c1c2c(ncnc2nn1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N
CACTVS 3.385Nc1ncnc2nn(cc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3
OpenEye OEToolkits 1.7.6c1c2c(ncnc2nn1C3CC(C(O3)COP(=O)(O)O)O)N
Name:[(2R,3S,5R)-5-(4-azanylpyrazolo[3,4-d]pyrimidin-2-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
ZINC: ZINC000584904874
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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