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BioLiP

PDB CCD ID: ZR9
Number of entries in BioLiP: 6
Chemical formula: C9 H6 N2 O4
InChI: InChI=1S/C9H6N2O4/c12-7-5-3-4(8(13)14)1-2-6(5)10-9(15)11-7/h1-3H,(H,13,14)(H2,10,11,12,15)
InChIKey: FDJXVHKCNJIHTB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccc2NC(=O)NC(=O)c2c1
OpenEye OEToolkits 2.0.7c1cc2c(cc1C(=O)O)C(=O)NC(=O)N2
ACDLabs 12.01O=C(O)c1ccc2NC(=O)NC(=O)c2c1
Name:2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-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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