SEQ2FUN

BioLiP

PDB CCD ID: KBC
Number of entries in BioLiP: 0
Chemical formula: C10 H15 N2 O9 P
InChI: InChI=1S/C10H15N2O9P/c1-19-10(5-20-22(16,17)18)6(13)4-8(21-10)12-3-2-7(14)11-9(12)15/h2-3,6,8,13H,4-5H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,8+,10+/m0/s1
InChIKey: VHPFXSSAHQFLOL-SKWCMTHISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CO[C@]1([C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O)COP(=O)(O)O
CACTVS 3.385CO[C]1(CO[P](O)(O)=O)O[CH](C[CH]1O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 2.0.7COC1(C(CC(O1)N2C=CC(=O)NC2=O)O)COP(=O)(O)O
CACTVS 3.385CO[C@]1(CO[P](O)(O)=O)O[C@H](C[C@@H]1O)N2C=CC(=O)NC2=O
Name:[(2~{R},3~{S},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).