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BioLiP Library

PDB CCD ID: UWJ
Number of entries in BioLiP: 0
Chemical formula: C11 H17 N2 O8 P Se
InChI: InChI=1S/C11H17N2O8PSe/c1-5-3-13(11(16)12-9(5)15)10-8(23-2)7(14)6(21-10)4-20-22(17,18)19/h3,6-8,10,14H,4H2,1-2H3,(H,12,15,16)(H2,17,18,19)/t6-,7-,8+,10-/m1/s1
InChIKey: KLYIIOBIPBBIGV-BDNRQGISSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C1(NC(C(=CN1C2OC(COP(=O)(O)O)C(O)C2[Se]C)C)=O)=O
OpenEye OEToolkits 2.0.7CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)[Se]C
CACTVS 3.385C[Se][CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=O
CACTVS 3.385C[Se][C@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1N2C=C(C)C(=O)NC2=O
OpenEye OEToolkits 2.0.7CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)[Se]C
Name:5-methyl-1-(2-Se-methyl-5-O-phosphono-2-seleno-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione
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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