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BioLiP

PDB CCD ID: LCS
Number of entries in BioLiP: 10
Chemical formula: C11 H14 N3 O7 P
InChI: InChI=1S/C11H14N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,15H,3-5H2,1H3,(H,14,16)(H2,17,18,19)/b13-9+
InChIKey: KFCQHWOGBVCKHR-UKTHLTGXSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C2/C(=N/Cc1c(cnc(c1O)C)COP(=O)(O)O)CON2
OpenEye OEToolkits 1.7.2Cc1c(c(c(cn1)COP(=O)(O)O)CN=C2CONC2=O)O
CACTVS 3.370Cc1ncc(CO[P](O)(O)=O)c(CN=C2CONC2=O)c1O
OpenEye OEToolkits 1.7.2Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2\CONC2=O)O
Name:[5-hydroxy-6-methyl-4-({[(4E)-3-oxo-1,2-oxazolidin-4-ylidene]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate
DrugBank: DB03787
ZINC: ZINC000103548283
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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