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BioLiP Library

PDB CCD ID: AQC
Number of entries in BioLiP: 0
Chemical formula: C15 H9 N O3
InChI: InChI=1S/C15H9NO3/c16-15(19)8-5-6-11-12(7-8)14(18)10-4-2-1-3-9(10)13(11)17/h1-7H,(H2,16,19)
InChIKey: RMBCGKBEXUZXEN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)C(=O)N
CACTVS 3.341NC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
ACDLabs 10.04O=C(N)c3ccc2C(=O)c1c(cccc1)C(=O)c2c3
Name:9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
ZINC: ZINC000005002669
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)(download the PDF file).
  • 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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