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BioLiP

PDB CCD ID: 89U
Number of entries in BioLiP: 3
Chemical formula: C22 H16 O3
InChI: InChI=1S/C22H16O3/c1-25-21-11-10-14(13-20(21)23)12-19-15-6-2-4-8-17(15)22(24)18-9-5-3-7-16(18)19/h2-13,23H,1H3
InChIKey: MQLACMBJVPINKE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc(cc1O)C=C2c3ccccc3C(=O)c4ccccc24
CACTVS 3.385COc1ccc(cc1O)\C=C2\c3ccccc3C(=O)c4ccccc24
OpenEye OEToolkits 2.0.6COc1ccc(cc1O)C=C2c3ccccc3C(=O)c4c2cccc4
Name:10-[(4-methoxy-3-oxidanyl-phenyl)methylidene]anthracen-9-one
ChEMBL: CHEMBL116173
ZINC: ZINC000003816587
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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