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BioLiP

PDB CCD ID: DBE
Number of entries in BioLiP: 4
Chemical formula: C13 H10 O3
InChI: InChI=1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H
InChIKey: RXNYJUSEXLAVNQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=O)c2ccc(cc2)O)O
CACTVS 3.341Oc1ccc(cc1)C(=O)c2ccc(O)cc2
ACDLabs 10.04O=C(c1ccc(O)cc1)c2ccc(O)cc2
Name:bis(4-hydroxyphenyl)methanone
ChEMBL: CHEMBL194859
DrugBank: DB07635
ZINC: ZINC000000028449
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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