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BioLiP

PDB CCD ID: NP3
Number of entries in BioLiP: 0
Chemical formula: C9 H13 N2 O8 P
InChI: InChI=1S/C9H13N2O8P/c12-7-3-9(10-2-1-6(4-10)11(13)14)19-8(7)5-18-20(15,16)17/h1-2,4,7-9,12H,3,5H2,(H2,15,16,17)/t7-,8+,9+/m0/s1
InChIKey: RZUPPTSNKSBSQO-DJLDLDEBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2ccc(c2)[N+]([O-])=O
ACDLabs 10.04[O-][N+](=O)c1ccn(c1)C2OC(C(O)C2)COP(=O)(O)O
OpenEye OEToolkits 1.5.0c1cn(cc1[N+](=O)[O-])C2CC(C(O2)COP(=O)(O)O)O
OpenEye OEToolkits 1.5.0c1cn(cc1[N+](=O)[O-])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
CACTVS 3.341O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2ccc(c2)[N+]([O-])=O
Name:1-[2-DEOXY-RIBOFURANOSYL]-1H-[3-NITRO-PYRROL]-5'-PHOSPHATE
ZINC: ZINC000033370746
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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