SEQ2FUN

BioLiP

PDB CCD ID: CDW
Number of entries in BioLiP: 0
Chemical formula: C9 H13 N2 O7 P
InChI: InChI=1S/C9H13N2O7P/c12-5-3-8(11-7-1-2-10(7)9(11)13)18-6(5)4-17-19(14,15)16/h1-2,5-8,12H,3-4H2,(H2,14,15,16)/t5-,6+,7+,8+/m0/s1
InChIKey: MFBBRWBWVQMJIV-LXGUWJNJSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2[CH]3C=CN3C2=O
ACDLabs 10.04O=C2N1C=CC1N2C3OC(C(O)C3)COP(=O)(O)O
OpenEye OEToolkits 1.6.1C1C(C(OC1N2C3C=CN3C2=O)COP(=O)(O)O)O
CACTVS 3.352O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2[C@@H]3C=CN3C2=O
OpenEye OEToolkits 1.6.1C1[C@@H]([C@H](O[C@H]1N2[C@@H]3C=CN3C2=O)COP(=O)(O)O)O
Name:(4R)-3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-1,3-DIAZABICYCLO[2.2.0]HEX-5-EN-2-ONE
ZINC: ZINC000058632629
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).