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BioLiP

PDB CCD ID: DQN
Number of entries in BioLiP: 8
Chemical formula: C10 H12 O2
InChI: InChI=1S/C10H12O2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3
InChIKey: WAMKWBHYPYBEJY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC1=C(C)C(=O)C(=C(C)C1=O)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)C(=C(C1=O)C)C)C
ACDLabs 10.04O=C1C(=C(C(=O)C(=C1C)C)C)C
Name:DUROQUINONE
ChEMBL: CHEMBL151604
DrugBank: DB01927
ZINC: ZINC000000087597
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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