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BioLiP

PDB CCD ID: ZXN
Number of entries in BioLiP: 3
Chemical formula: C14 H16 N3 O5 P
InChI: InChI=1S/C14H16N3O5P/c1-10-14(18)13(8-16-17-12-5-3-2-4-6-12)11(7-15-10)9-22-23(19,20)21/h2-8,17-18H,9H2,1H3,(H2,19,20,21)/b16-8+
InChIKey: VZZGBIJWEDOPQL-LZYBPNLTSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/Nc2ccccc2)O
OpenEye OEToolkits 2.0.7Cc1c(c(c(cn1)COP(=O)(O)O)C=NNc2ccccc2)O
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(C=NNc2ccccc2)c1O
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(/C=N/Nc2ccccc2)c1O
Name:[6-methyl-5-oxidanyl-4-[(2-phenylhydrazinyl)methyl]pyridin-3-yl]methyl dihydrogen phosphate
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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