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BioLiP

PDB CCD ID: 10C
Number of entries in BioLiP: 0
Chemical formula: C10 H14 N3 O8 P
InChI: InChI=1S/C10H14N3O8P/c11-5-1-2-13(9(15)12-5)8-6-7(14)10(21-8,3-19-6)4-20-22(16,17)18/h1-2,6-8,14H,3-4H2,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8-,10-/m1/s1
InChIKey: QSWJTQANHZXJPG-IBCQBUCCSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@]3(CO[C@@H]2[C@@H]3O)CO[P](O)(O)=O
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[C]3(CO[CH]2[CH]3O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C1C2(C(C(O1)C(O2)N3C=CC(=NC3=O)N)O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0C1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=NC3=O)N)O)COP(=O)(O)O
ACDLabs 10.04O=C1N=C(N)C=CN1C3OC2(C(O)C3OC2)COP(=O)(O)O
Name:4-AMINO-1-{2,5-ANHYDRO-4-[(PHOSPHONOOXY)METHYL]-ALPHA-L-LYXOFURANOSYL}PYRIMIDIN-2(1H)-ONE
ZINC: ZINC000064426408
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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