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BioLiP

PDB CCD ID: 32F
Number of entries in BioLiP: 2
Chemical formula: C16 H12 N2 O4
InChI: InChI=1S/C16H12N2O4/c19-14(20)9-22-11-7-5-10(6-8-11)15-17-13-4-2-1-3-12(13)16(21)18-15/h1-8H,9H2,(H,19,20)(H,17,18,21)
InChIKey: NQBPCQCEUSKHLK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)OCC(=O)O
ACDLabs 12.01O=C(O)COc3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3
CACTVS 3.385OC(=O)COc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
Name:2-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenoxy]ethanoic 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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