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BioLiP

PDB CCD ID: LP7
Number of entries in BioLiP: 1
Chemical formula: C11 H12 N2 O5
InChI: InChI=1S/C11H12N2O5/c1-2-18-11(16)7-8(14)6-4-3-5-12-9(6)13(17)10(7)15/h3-5,7-8,14,17H,2H2,1H3/t7-,8-/m0/s1
InChIKey: MTVPGFFXVTZGIM-YUMQZZPRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCOC(=O)[C@H]1C(c2cccnc2N(C1=O)O)O
CACTVS 3.352CCOC(=O)[C@H]1[C@@H](O)c2cccnc2N(O)C1=O
CACTVS 3.352CCOC(=O)[CH]1[CH](O)c2cccnc2N(O)C1=O
OpenEye OEToolkits 1.7.0CCOC(=O)C1C(c2cccnc2N(C1=O)O)O
Name:ethyl 1,4-dihydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate
ZINC: ZINC000058650134
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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