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BioLiP Library

PDB CCD ID: 7TE
Number of entries in BioLiP: 0
Chemical formula: C10 H14 N5 O6 P
InChI: InChI=1S/C10H14N5O6P/c11-8-6-9(13-2-12-8)15(3-14-6)10-7(16)5(1-20-10)21-4-22(17,18)19/h2-3,5,7,10,16H,1,4H2,(H2,11,12,13)(H2,17,18,19)/t5-,7+,10+/m0/s1
InChIKey: BXHBMXLCBPCKJC-WVBSTYLSSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ncnc2n(cnc12)[C@@H]3OC[C@H](OC[P](O)(O)=O)[C@H]3O
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(cn2)C3C(C(CO3)OCP(=O)(O)O)O)N
ACDLabs 12.01O=P(O)(O)COC1COC(n2cnc3c(N)ncnc32)C1O
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](CO3)OCP(=O)(O)O)O)N
CACTVS 3.385Nc1ncnc2n(cnc12)[CH]3OC[CH](OC[P](O)(O)=O)[CH]3O
Name:(S)-({[(3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}methyl)phosphinic 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)(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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