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BioLiP

PDB CCD ID: EIL
Number of entries in BioLiP: 1
Chemical formula: C13 H15 N2 O7 P
InChI: InChI=1S/C13H15N2O7P/c1-7-3-11(13(17)22-7)15-5-10-9(6-21-23(18,19)20)4-14-8(2)12(10)16/h3-4,16H,5-6H2,1-2H3,(H2,18,19,20)/b15-11+
InChIKey: SDTUNOOKUCGPLI-RVDMUPIBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC1=CC(=NCc2c(O)c(C)ncc2CO[P](O)(O)=O)C(=O)O1
OpenEye OEToolkits 2.0.7Cc1c(c(c(cn1)COP(=O)(O)O)CN=C2C=C(OC2=O)C)O
Name:[6-methyl-4-[[(5-methyl-2-oxidanylidene-furan-3-ylidene)amino]methyl]-5-oxidanyl-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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