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BioLiP

PDB CCD ID: 1V0
Number of entries in BioLiP: 2
Chemical formula: C15 H9 N O4
InChI: InChI=1S/C15H9NO4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H
InChIKey: CKSVYVHLZNMXLX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370[O-][N+](=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2
ACDLabs 12.01[O-][N+](=O)c3ccc(C=2Oc1ccccc1C(=O)C=2)cc3
OpenEye OEToolkits 1.7.6c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)[N+](=O)[O-]
Name:2-(4-nitrophenyl)-4H-chromen-4-one
ChEMBL: CHEMBL64780
ZINC: ZINC000000161027
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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