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BioLiP Library

PDB CCD ID: 50N
Number of entries in BioLiP: 0
Chemical formula: C10 H14 N3 O10 P
InChI: InChI=1S/C10H14N3O10P/c11-9-4(13(17)18)1-3(10(16)12-9)8-7(15)6(14)5(23-8)2-22-24(19,20)21/h1,5-8,14-15H,2H2,(H3,11,12,16)(H2,19,20,21)/t5-,6-,7-,8+/m1/s1
InChIKey: NFRHBMAHQZOVIK-XUTVFYLZSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01P(O)(OCC1OC(C(C1O)O)c2c(O)nc(c(c2)[N+]([O-])=O)N)(O)=O
OpenEye OEToolkits 1.9.2c1c(c(nc(c1[N+](=O)[O-])N)O)C2C(C(C(O2)COP(=O)(O)O)O)O
CACTVS 3.385Nc1nc(O)c(cc1[N+]([O-])=O)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
OpenEye OEToolkits 1.9.2c1c(c(nc(c1[N+](=O)[O-])N)O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
CACTVS 3.385Nc1nc(O)c(cc1[N+]([O-])=O)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
Name:(1S)-1-(6-amino-2-hydroxy-5-nitropyridin-3-yl)-1,4-anhydro-5-O-phosphono-D-ribitol
ZINC: ZINC000263620790
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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