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BioLiP

PDB CCD ID: LP8
Number of entries in BioLiP: 1
Chemical formula: C13 H14 N2 O3
InChI: InChI=1S/C13H14N2O3/c16-11-9-6-3-7-14-12(9)15(18)13(17)10(11)8-4-1-2-5-8/h3,6-8,16,18H,1-2,4-5H2
InChIKey: QHMJHXXRZXAFLA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc2c(nc1)N(C(=O)C(=C2O)C3CCCC3)O
CACTVS 3.352ON1C(=O)C(=C(O)c2cccnc12)C3CCCC3
Name:3-cyclopentyl-1,4-dihydroxy-1,8-naphthyridin-2(1H)-one
ZINC: ZINC000103548756
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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