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BioLiP

PDB CCD ID: 103
Number of entries in BioLiP: 2
Chemical formula: C10 H14 N5 O5 P
InChI: InChI=1S/C10H14N5O5P/c1-5-6(20-21(16,17)18)2-7(19-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7H,2H2,1H3,(H2,11,12,13)(H2,16,17,18)/t5-,6+,7-/m1/s1
InChIKey: NFGZMOICZSFFLB-DSYKOEDSSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1C(CC(O1)n2cnc3c2ncnc3N)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O
CACTVS 3.341C[CH]1O[CH](C[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
CACTVS 3.341C[C@H]1O[C@H](C[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
ACDLabs 10.04O=P(O)(O)OC3C(OC(n2cnc1c(ncnc12)N)C3)C
Name:2',5'-DIDEOXY-ADENOSINE 3'-MONOPHOSPHATE
DrugBank: DB06843
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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