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BioLiP

PDB CCD ID: W7B
Number of entries in BioLiP: 2
Chemical formula: C17 H14 N2 O4
InChI: InChI=1S/C17H14N2O4/c20-15-13(14(16(21)22)18-17(23)19-15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H,21,22)(H2,18,19,20,23)
InChIKey: SLNOQVWHLSWYRT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC(=O)C1=C(CCc2cccc3ccccc23)C(=O)NC(=O)N1
OpenEye OEToolkits 1.7.6c1ccc2c(c1)cccc2CCC3=C(NC(=O)NC3=O)C(=O)O
Name:5-[2-(naphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid
ChEMBL: CHEMBL3990337
ZINC: ZINC000098209554
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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