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BioLiP

PDB CCD ID: 2AR
Number of entries in BioLiP: 0
Chemical formula: C11 H16 N5 O5 P
InChI: InChI=1S/C11H16N5O5P/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-6(8(17)2-7)3-21-22(18,19)20/h4-8,17H,1-3H2,(H2,12,13,14)(H2,18,19,20)/t6-,7-,8+/m1/s1
InChIKey: CPNSCNMQNFIEIV-PRJMDXOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)C3
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3CC(C(C3)O)COP(=O)(O)O)N
ACDLabs 10.04O=P(O)(O)OCC3CC(n1c2ncnc(c2nc1)N)CC3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)C3
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](C3)O)COP(=O)(O)O)N
Name:2'-DEOXYARISTEROMYCIN-5'-PHOSPHATE;
[ADENIN-9-YL-3-HYDROXY-CYCLOPENTAN-5-YL]-METHYL-5'-PHOSPHATE
ZINC: ZINC000048015803
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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