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BioLiP

PDB CCD ID: ZYL
Number of entries in BioLiP: 1
Chemical formula: C19 H23 N O5
InChI: InChI=1S/C19H23NO5/c1-2-3-4-5-11-25-15-8-6-7-14(12-15)13-20-10-9-16(21)17(18(20)22)19(23)24/h6-10,12,21H,2-5,11,13H2,1H3,(H,23,24)
InChIKey: IEFKPWNGVIDYEA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C1=C(O)C=CN(C1=O)Cc2cc(OCCCCCC)ccc2
OpenEye OEToolkits 1.7.6CCCCCCOc1cccc(c1)CN2C=CC(=C(C2=O)C(=O)O)O
CACTVS 3.370CCCCCCOc1cccc(CN2C=CC(=C(C(O)=O)C2=O)O)c1
Name:1-[3-(hexyloxy)benzyl]-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid
ChEMBL: CHEMBL2063256
ZINC: ZINC000084669316
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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