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BioLiP

PDB CCD ID: F2X
Number of entries in BioLiP: 5
Chemical formula: C11 H10 O3
InChI: InChI=1S/C11H10O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-4,6,12H,5H2,1H3/t6-/m1/s1
InChIKey: ALPCEXCHMFUSAN-ZCFIWIBFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1CC(=O)c2c(cccc2O)C1=O
OpenEye OEToolkits 2.0.7C[C@@H]1CC(=O)c2c(cccc2O)C1=O
CACTVS 3.385C[C@@H]1CC(=O)c2c(O)cccc2C1=O
CACTVS 3.385C[CH]1CC(=O)c2c(O)cccc2C1=O
Name:(2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione
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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