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BioLiP

PDB CCD ID: A1IA7
Number of entries in BioLiP: 2
Chemical formula: C17 H12 N2 O4
InChI: InChI=1S/C17H12N2O4/c20-14-13(17(22)23)18-15(19-16(14)21)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,20H,(H,22,23)(H,18,19,21)
InChIKey: WBTZMLOTPWUTHO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)C1=C(O)C(=O)NC(=N1)c2ccc(cc2)c3ccccc3
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ccc(cc2)C3=NC(=C(C(=O)N3)O)C(=O)O
Name:5-oxidanyl-6-oxidanylidene-2-(4-phenylphenyl)-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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