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BioLiP

PDB CCD ID: P6N
Number of entries in BioLiP: 1
Chemical formula: C11 H12 O
InChI: InChI=1S/C11H12O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-5,8H,6-7H2,1H3/t8-/m0/s1
InChIKey: GANIBVZSZGNMNB-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH]1CCc2ccccc2C1=O
OpenEye OEToolkits 2.0.7CC1CCc2ccccc2C1=O
CACTVS 3.385
OpenEye OEToolkits 2.0.7		C[C@H]1CCc2ccccc2C1=O
Name:(2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one
ZINC: ZINC000003861252
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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