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BioLiP

PDB CCD ID: A1IA6
Number of entries in BioLiP: 6
Chemical formula: C15 H10 N2 O4
InChI: InChI=1S/C15H10N2O4/c18-12-11(15(20)21)16-13(17-14(12)19)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,18H,(H,20,21)(H,16,17,19)
InChIKey: HQQIELXMZFSTOA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)C1=C(O)C(=O)NC(=N1)c2ccc3ccccc3c2
OpenEye OEToolkits 2.0.7c1ccc2cc(ccc2c1)C3=NC(=C(C(=O)N3)O)C(=O)O
Name:2-naphthalen-2-yl-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid
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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